E642-0340 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)benzamide

E642-0340 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)benzamide
E642-0340 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0340
4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)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

E642-0340

Molecular Formula

C26H27FN4OS (C26 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c1ccc(CSc(n2Cc(cccc3)c3F)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C26H27FN4OS/c1-18(2)13-15-29-25(32)20-11-9-19(10-12-20)17-33-26-30-23-8-5-14-28-24(23)31(26)16-21-6-3-4-7-22(21)27/h3-12,14,18H,13,15-17H2,1-2H3,(H,29,32)

InChI Key

NMXZSZTWGPQJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906649

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

462.59

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

5.330

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.24

Polar Surface Area

44.910

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0340 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E642-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0340?
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What is the minimum amount of E642-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0340
  • 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 E642-0340 available by request