4296-0958 Screening compound: 3,6-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

4296-0958 Screening compound: 3,6-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
4296-0958 Screening compound: 3,6-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0958
3,6-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4296-0958

Molecular Formula

C24H20ClN5OS (C24 H20 ClN5 OS)

Compound Name

3,6-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

36-diamino-N-(4-chlorophenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[23-b]pyridine-2-carboxamide

SMILES

CC(C)c(cc1)ccc1-c(c1c(nc2N)sc(C(Nc(cc3)ccc3Cl)=O)c1N)c2C#N

InChI

InChI=1S/C24H20ClN5OS/c1-12(2)13-3-5-14(6-4-13)18-17(11-26)22(28)30-24-19(18)20(27)21(32-24)23(31)29-16-9-7-15(25)8-10-16/h3-10,12H,27H2,1-2H3,(H2,28,30)(H,29,31)

InChI Key

VTDFOODYBKSVOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.900

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-6.50

Polar Surface Area

89.918

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4296-0958 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4296-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0958?
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What is the minimum amount of 4296-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0958
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4296-0958 available by request