E642-0907 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]benzamide

E642-0907 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]benzamide
E642-0907 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0907
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]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

E642-0907

Molecular Formula

C28H31N5OS (C28 H31 N5 OS)

Compound Name

4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]benzamide

IUPAC name

4-{[2-(benzylsulfanyl)-3H-imidazo[45-b]pyridin-3-yl]methyl}-N-[3-(pyrrolidin-1-yl)propyl]benzamide

SMILES

O=C(c1ccc(Cn2c(SCc3ccccc3)nc3c2nccc3)cc1)NCCCN1CCCC1

InChI

InChI=1S/C28H31N5OS/c34-27(30-16-7-19-32-17-4-5-18-32)24-13-11-22(12-14-24)20-33-26-25(10-6-15-29-26)31-28(33)35-21-23-8-2-1-3-9-23/h1-3,6,8-15H,4-5,7,16-21H2,(H,30,34)

InChI Key

JCASLKJDNXZYOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

0.931

Water Solubility, LogSw

-4.15

Polar Surface Area

48.987

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E642-0907 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 E642-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0907?
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What is the minimum amount of E642-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0907
  • 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 E642-0907 available by request