E642-0955 Screening compound: N-benzyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide

E642-0955 Screening compound: N-benzyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide
E642-0955 Screening compound: N-benzyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0955
N-benzyl-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-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

E642-0955

Molecular Formula

C28H23FN4OS (C28 H23 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)cc1)NCc1ccccc1

InChI

InChI=1S/C28H23FN4OS/c29-24-14-10-22(11-15-24)19-35-28-32-25-7-4-16-30-26(25)33(28)18-21-8-12-23(13-9-21)27(34)31-17-20-5-2-1-3-6-20/h1-16H,17-19H2,(H,31,34)

InChI Key

YISVOAQCXQGECG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

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

5.054

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-5.01

Polar Surface Area

44.797

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

E642-0955 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 E642-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0955?
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What is the minimum amount of E642-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0955
  • 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 E642-0955 available by request