4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoic acid

Compound number:
MolPort-009-679-457
CAS number: 1028486-01-2; 1028486-01-2
IUPAC:
4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoic acid
IUPAC traditional:
4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoic acid
SMILES:
COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
InChI key:
ZLHFILGSQDJULK-UHFFFAOYSA-N
Molecular formula:
C27H20ClFN4O4
Molecular weight: 518.93
Sample Reformatting

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Catalog: Screening compound Ships out: 7 business days Purity: 99.82%
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Catalog: Building blocks Ships out: 7 business days Purity: 95%
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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1 mg October 4, 2019 57.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 99%
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5 mg October 4, 2019 179.00 USD
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10 mg October 4, 2019 248.00 USD
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50 mg October 4, 2019 679.00 USD
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Catalog: Made to order Ships out: 20 business days Purity: 98.00%
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10 mg October 18, 2019 190.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-009-679-457
CAS number: 1028486-01-2; 1028486-01-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000040939534
MFCD16621243
4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid
4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid
4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[e]pyrimido[5,4-c]azepin-2-ylamino)-2-methoxybenzoic acid
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy benzoic acid
Alisertib
Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-
MLN 8237
MLN 8237 (Contain 10% DMSO)
MLN-8237
MLN8237
MLN8237 (Alisertib)
MLN8237(Alisertib)

InChI
InChI: 1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
InChI key: ZLHFILGSQDJULK-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C27H20ClFN4O4
Molecular weight: 518.93

Other

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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