C795-0642 Screening compound: N-(2,4-difluorophenyl)-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

C795-0642 Screening compound: N-(2,4-difluorophenyl)-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
C795-0642 Screening compound: N-(2,4-difluorophenyl)-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0642
N-(2,4-difluorophenyl)-4,6-dimethyl-3-(1H-pyrrol-1-yl)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

C795-0642

Molecular Formula

C20H15F2N3OS (C20 H15 F2 N3 OS)

Compound Name

N-(2,4-difluorophenyl)-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

N-(24-difluorophenyl)-46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carboxamide

SMILES

Cc1c(c(-n2cccc2)c(C(Nc(ccc(F)c2)c2F)=O)s2)c2nc(C)c1

InChI

InChI=1S/C20H15F2N3OS/c1-11-9-12(2)23-20-16(11)17(25-7-3-4-8-25)18(27-20)19(26)24-15-6-5-13(21)10-14(15)22/h3-10H,1-2H3,(H,24,26)

InChI Key

LXAGLPZMXIANHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.954

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.91

Polar Surface Area

35.543

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C795-0642 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C795-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0642?
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What is the minimum amount of C795-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0642
  • 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 C795-0642 available by request