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4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl]amino}benzoic acid



Compound number:
MolPort-016-633-177
CAS number: 869363-13-3
IUPAC:
4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl]amino}benzoic acid
IUPAC traditional:
4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl]amino}benzoic acid
SMILES:
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
InChI key:
HHFBDROWDBDFBR-UHFFFAOYSA-N
Molecular formula:
C25H15ClF2N4O2
Molecular weight: 476.87
Solubility: not available

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Catalog: Screening compound Ships out: 3 business days Purity: 99.05%
Last updated: this week In warehouse: 300.00 mg
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2 mg October 28, 2021 75.00 USD
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5 mg October 28, 2021 111.00 USD
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10 mg October 28, 2021 205.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: 95.99%
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5 mg November 8, 2021 154.80 USD
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10 mg November 8, 2021 268.32 USD
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50 mg November 8, 2021 832.05 USD
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Catalog: Screening compound Ships out: 5 business days Purity: n/a
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5 mg November 1, 2021 110.00 USD
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10 mg November 1, 2021 190.00 USD
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50 mg November 1, 2021 590.00 USD
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
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5 mg November 2, 2021 215.43 USD
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10 mg November 2, 2021 405.06 USD
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50 mg November 2, 2021 1229.37 USD
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Catalog: Screening compound Ships out: 15 business days Purity: >=98%
Last updated: > 3 months ago In warehouse: Unverified
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1 mg November 15, 2021 49.02 USD
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5 mg November 15, 2021 206.40 USD
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10 mg November 15, 2021 387.00 USD
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Catalog: Building blocks Ships out: 12 business days Purity: 99.43%
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10 mg November 10, 2021 228.00 USD
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50 mg November 10, 2021 708.00 USD
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100 mg November 10, 2021 983.00 USD
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Catalog: Building blocks Ships out: 12 business days Purity: 99.43%
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5 mg November 10, 2021 132.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: ≥97%
Last updated: this week In warehouse: 500.00 mg
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5 mg November 9, 2021 155.00 USD
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100 mg November 9, 2021 341.00 USD
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250 mg November 9, 2021 680.00 USD
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Direct S&H to USA: 80.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 97%
Last updated: this week In warehouse: 5.00 mg
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5 mg November 8, 2021 427.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: 99%
Last updated: last month In warehouse: 100.00 mg
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5 mg November 9, 2021 265.00 USD
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10 mg November 9, 2021 403.00 USD
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50 mg November 9, 2021 1093.00 USD
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Direct S&H to USA: 35.00 USD
Direct S&H to World: 125.00 USD

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Catalog: Building blocks Ships out: 8 business days Purity: 99%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
5 mg November 4, 2021 192.00 USD
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10 mg November 4, 2021 304.00 USD
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50 mg November 4, 2021 865.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-016-633-177
CAS number: 869363-13-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000018825334
4-(9-Chloro-7-(2,6-difluorophenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)benzoic acid
4-(9-Chloro-7-(2,6-difluorophenyl)-5H-benzo[e]pyrimido[5,4-c]azepin-2-ylamino)benzoic acid
MLN 8054
MLN8054
MFCD11840561

InChI
InChI: 1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
InChI key: HHFBDROWDBDFBR-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C25H15ClF2N4O2
Molecular weight: 476.87

Other

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