E642-0834 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-cyclopentylbenzamide

E642-0834 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-cyclopentylbenzamide
E642-0834 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-cyclopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0834
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-cyclopentylbenzamide

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

E642-0834

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(Cn2c(SCc3ccccc3)nc3c2nccc3)cc1)NC1CCCC1

InChI

InChI=1S/C26H26N4OS/c31-25(28-22-9-4-5-10-22)21-14-12-19(13-15-21)17-30-24-23(11-6-16-27-24)29-26(30)32-18-20-7-2-1-3-8-20/h1-3,6-8,11-16,22H,4-5,9-10,17-18H2,(H,28,31)

InChI Key

SZBFMWJIFTWSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

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

4.903

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.94

Polar Surface Area

44.889

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0834 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0834?
Check Price and Availability of E642-0834, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E642-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0834
  • 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 E642-0834 available by request