E642-0178 Screening compound: 4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)benzamide

E642-0178 Screening compound: 4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(3-methylbutyl)benzamide
E642-0178 Screening compound: 4-[({3-[(4-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 E642-0178
4-[({3-[(4-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

E642-0178

Molecular Formula

C26H27FN4OS (C26 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c1ccc(CSc(n2Cc(cc3)ccc3F)nc3c2nccc3)cc1)=O

InChI

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

InChI Key

ZQJWRTYTIKIEPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906612

Chemical and Physical Properties

Saltdata

n/a

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

5.081

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.74

Polar Surface Area

44.910

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E642-0178 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 E642-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0178?
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What is the minimum amount of E642-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0178
  • 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 E642-0178 available by request