4296-0659 Screening compound: 3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

4296-0659 Screening compound: 3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
4296-0659 Screening compound: 3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0659
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-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

4296-0659

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

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

IUPAC name

36-diamino-5-cyano-N-(3-methoxyphenyl)-4-[4-(propan-2-yl)phenyl]thieno[23-b]pyridine-2-carboxamide

SMILES

CC(C)c(cc1)ccc1-c1c(c(N)c(C(Nc2cc(OC)ccc2)=O)s2)c2nc(N)c1C#N

InChI

InChI=1S/C25H23N5O2S/c1-13(2)14-7-9-15(10-8-14)19-18(12-26)23(28)30-25-20(19)21(27)22(33-25)24(31)29-16-5-4-6-17(11-16)32-3/h4-11,13H,27H2,1-3H3,(H2,28,30)(H,29,31)

InChI Key

VAPMULXLBFFEEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-5.69

Polar Surface Area

97.461

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4296-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0659?
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What is the minimum amount of 4296-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0659
  • 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 4296-0659 available by request