E642-0968 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide

E642-0968 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide
E642-0968 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0968
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(furan-2-yl)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

E642-0968

Molecular Formula

C26H21FN4O2S (C26 H21 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)cc1)NCc1ccco1

InChI

InChI=1S/C26H21FN4O2S/c27-21-11-7-19(8-12-21)17-34-26-30-23-4-1-13-28-24(23)31(26)16-18-5-9-20(10-6-18)25(32)29-15-22-3-2-14-33-22/h1-14H,15-17H2,(H,29,32)

InChI Key

ZIMKLYLAHZQVBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.90

Polar Surface Area

52.546

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E642-0968 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E642-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0968?
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What is the minimum amount of E642-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0968
  • 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 E642-0968 available by request