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2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile



Compound number:
MolPort-044-724-646
CAS number: 1334298-90-6
IUPAC:
2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
IUPAC traditional:
2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrazol-1-yl)azetidin-3-yl)acetonitrile
SMILES:
Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
InChI key:
KTBSXLIQKWEBRB-UHFFFAOYSA-N
Molecular formula:
C26H23F4N9O
Molecular weight: 553.526
Solubility: not available

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Catalog: Screening compound Ships out: 3 business days Purity: 97.57%
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1 mg December 6, 2021 45.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: 98.02%
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5 mg December 15, 2021 165.12 USD
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10 mg December 15, 2021 294.12 USD
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50 mg December 15, 2021 881.07 USD
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
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2 mg December 9, 2021 122.55 USD
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25 mg December 9, 2021 594.69 USD
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Catalog: Screening compound Ships out: 15 business days Purity: >=95%
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1 mg December 22, 2021 41.28 USD
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Catalog: Building blocks Ships out: 12 business days Purity: 99.97%
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5 mg December 17, 2021 140.00 USD
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10 mg December 17, 2021 250.00 USD
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100 mg December 17, 2021 1300.00 USD
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Catalog: Building blocks Ships out: 12 business days Purity: 99.97%
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50 mg December 17, 2021 750.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: 98+%
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1 mg December 16, 2021 275.00 USD
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5 mg December 16, 2021 457.00 USD
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10 mg December 16, 2021 788.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 97%
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1 mg December 15, 2021 637.00 USD
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5 mg December 15, 2021 1002.00 USD
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Catalog: Building blocks Ships out: 11 business days Purity: 99%
Last updated: this month In warehouse: 200.00 mg
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5 mg December 16, 2021 303.00 USD
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10 mg December 16, 2021 471.00 USD
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50 mg December 16, 2021 1238.00 USD
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Catalog: Building blocks Ships out: 8 business days Purity: 99%
Last updated: > 3 months ago In warehouse: Unverified
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5 mg December 13, 2021 201.00 USD
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10 mg December 13, 2021 330.00 USD
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50 mg December 13, 2021 915.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-044-724-646
CAS number: 1334298-90-6

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000118795962
INCB039110
Itacitinib
MFCD28579595

InChI
InChI: 1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
InChI key: KTBSXLIQKWEBRB-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C26H23F4N9O
Molecular weight: 553.526

Other

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