E642-0985 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

E642-0985 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
E642-0985 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0985
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(oxolan-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

E642-0985

Molecular Formula

C26H25FN4O2S (C26 H25 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)cc1)NCC1OCCC1

InChI

InChI=1S/C26H25FN4O2S/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/h1,4-13,22H,2-3,14-17H2,(H,29,32)/t22-/m1/s1

InChI Key

HEEVFQBCFPLTHO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14906779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

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

3.605

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.77

Polar Surface Area

53.452

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E642-0985 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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 E642-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0985?
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What is the minimum amount of E642-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0985
  • 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 E642-0985 available by request