E642-0956 Screening compound: N-(butan-2-yl)-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide

E642-0956 Screening compound: N-(butan-2-yl)-4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzamide
E642-0956 Screening compound: N-(butan-2-yl)-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 E642-0956
N-(butan-2-yl)-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

E642-0956

Molecular Formula

C25H25FN4OS (C25 H25 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H25FN4OS/c1-3-17(2)28-24(31)20-10-6-18(7-11-20)15-30-23-22(5-4-14-27-23)29-25(30)32-16-19-8-12-21(26)13-9-19/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)/t17-/m0/s1

InChI Key

LMZHSRVDZCSORF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14906765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

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

4.334

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.14

Polar Surface Area

44.510

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E642-0956 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E642-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0956?
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What is the minimum amount of E642-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0956
  • 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 E642-0956 available by request