E643-0996 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine

E643-0996 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine
E643-0996 Screening compound: 2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0996
2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine

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

E643-0996

Molecular Formula

C21H18FN3OS (C21 H18 FN3 OS)

Compound Name

2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine

IUPAC name

n/a

SMILES

COc1ccc(Cn2c(SCc(cccc3)c3F)nc3c2nccc3)cc1

InChI

InChI=1S/C21H18FN3OS/c1-26-17-10-8-15(9-11-17)13-25-20-19(7-4-12-23-20)24-21(25)27-14-16-5-2-3-6-18(16)22/h2-12H,13-14H2,1H3

InChI Key

ZRJKDMQBAASTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.77

Polar Surface Area

27.928

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E643-0996 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 E643-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0996?
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What is the minimum amount of E643-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0996
  • 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 E643-0996 available by request