E642-0902 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-butylbenzamide

E642-0902 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-butylbenzamide
E642-0902 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0902
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-butylbenzamide

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

E642-0902

Molecular Formula

C25H26N4OS (C25 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c1ccc(Cn2c(SCc3ccccc3)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C25H26N4OS/c1-2-3-15-27-24(30)21-13-11-19(12-14-21)17-29-23-22(10-7-16-26-23)28-25(29)31-18-20-8-5-4-6-9-20/h4-14,16H,2-3,15,17-18H2,1H3,(H,27,30)

InChI Key

FRBSQJOGXQKTJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.55

Polar Surface Area

44.910

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E642-0902 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0902?
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What is the minimum amount of E642-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0902
  • 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 E642-0902 available by request