E642-3127 Screening compound: N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

E642-3127 Screening compound: N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide
E642-3127 Screening compound: N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-3127
N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)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

E642-3127

Molecular Formula

C25H24ClFN4OS (C25 H24 ClFN4 OS)

Compound Name

N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-(butan-2-yl)-4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]benzamide

SMILES

CCC(C)NC(c1ccc(CSc2nc3cccnc3n2Cc(c(F)ccc2)c2Cl)cc1)=O

InChI

InChI=1S/C25H24ClFN4OS/c1-3-16(2)29-24(32)18-11-9-17(10-12-18)15-33-25-30-22-8-5-13-28-23(22)31(25)14-19-20(26)6-4-7-21(19)27/h4-13,16H,3,14-15H2,1-2H3,(H,29,32)/t16-/m0/s1

InChI Key

HUFQVQLUAFMPHQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14906874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

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

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-5.04

Polar Surface Area

44.510

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E642-3127 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 E642-3127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-3127?
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What is the minimum amount of E642-3127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-3127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-3127
  • 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 E642-3127 available by request