E642-0882 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)benzamide

E642-0882 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)benzamide
E642-0882 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0882
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)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

E642-0882

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)benzamide

IUPAC name

4-{[2-(benzylsulfanyl)-3H-imidazo[45-b]pyridin-3-yl]methyl}-N-(4-methylcyclohexyl)benzamide

SMILES

CC(CC1)CCC1NC(c1ccc(Cn2c(SCc3ccccc3)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C28H30N4OS/c1-20-9-15-24(16-10-20)30-27(33)23-13-11-21(12-14-23)18-32-26-25(8-5-17-29-26)31-28(32)34-19-22-6-3-2-4-7-22/h2-8,11-14,17,20,24H,9-10,15-16,18-19H2,1H3,(H,30,33)

InChI Key

PMMSVLRTKZTMIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

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

6.166

Distribution Coefficient, logD

6.165

Water Solubility, LogSw

-5.55

Polar Surface Area

44.523

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E642-0882 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0882?
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What is the minimum amount of E642-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0882
  • 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 E642-0882 available by request