E642-3129 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide

E642-3129 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide
E642-3129 Screening compound: 4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-cyclopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-3129
4-[({3-[(2-chloro-6-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)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

E642-3129

Molecular Formula

C26H24ClFN4OS (C26 H24 ClFN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc3cccnc3n2Cc(c(F)ccc2)c2Cl)cc1)NC1CCCC1

InChI

InChI=1S/C26H24ClFN4OS/c27-21-7-3-8-22(28)20(21)15-32-24-23(9-4-14-29-24)31-26(32)34-16-17-10-12-18(13-11-17)25(33)30-19-5-1-2-6-19/h3-4,7-14,19H,1-2,5-6,15-16H2,(H,30,33)

InChI Key

ZTSNGJSRHZXHQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

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

5.516

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.96

Polar Surface Area

44.889

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-3129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E642-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-3129?
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What is the minimum amount of E642-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-3129
  • 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 E642-3129 available by request