E642-0276 Screening compound: N-ethyl-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

E642-0276 Screening compound: N-ethyl-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide
E642-0276 Screening compound: N-ethyl-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0276
N-ethyl-4-[({3-[(3-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)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

E642-0276

Molecular Formula

C23H21FN4OS (C23 H21 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCNC(c1ccc(CSc(n2Cc3cc(F)ccc3)nc3c2nccc3)cc1)=O

InChI

InChI=1S/C23H21FN4OS/c1-2-25-22(29)18-10-8-16(9-11-18)15-30-23-27-20-7-4-12-26-21(20)28(23)14-17-5-3-6-19(24)13-17/h3-13H,2,14-15H2,1H3,(H,25,29)

InChI Key

XLFSXXCCPGVCGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-3.90

Polar Surface Area

44.695

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E642-0276 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 E642-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0276?
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What is the minimum amount of E642-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0276
  • 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 E642-0276 available by request