E642-0889 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(thiophen-2-yl)methyl]benzamide

E642-0889 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(thiophen-2-yl)methyl]benzamide
E642-0889 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0889
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(thiophen-2-yl)methyl]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

E642-0889

Molecular Formula

C26H22N4OS2 (C26 H22 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(Cn2c(SCc3ccccc3)nc3cccnc23)cc1)NCc1cccs1

InChI

InChI=1S/C26H22N4OS2/c31-25(28-16-22-8-5-15-32-22)21-12-10-19(11-13-21)17-30-24-23(9-4-14-27-24)29-26(30)33-18-20-6-2-1-3-7-20/h1-15H,16-18H2,(H,28,31)

InChI Key

OGLLCRUVCVSQCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-5.00

Polar Surface Area

45.816

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E642-0889 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0889?
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What is the minimum amount of E642-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0889
  • 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 E642-0889 available by request