E642-3131 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide

E642-3131 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide
E642-3131 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-3131
4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide

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

E642-3131

Molecular Formula

C24H22ClFN4OS (C24 H22 ClFN4 OS)

Compound Name

4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide

IUPAC name

4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(CSc2nc3cccnc3n2Cc(c(F)ccc2)c2Cl)cc1)=O

InChI

InChI=1S/C24H22ClFN4OS/c1-15(2)28-23(31)17-10-8-16(9-11-17)14-32-24-29-21-7-4-12-27-22(21)30(24)13-18-19(25)5-3-6-20(18)26/h3-12,15H,13-14H2,1-2H3,(H,28,31)

InChI Key

NGUSLFOPOKRBOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.89

Polar Surface Area

44.043

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E642-3131 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-3131?
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What is the minimum amount of E642-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-3131
  • 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 E642-3131 available by request