E643-0111 Screening compound: 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

E643-0111 Screening compound: 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine
E643-0111 Screening compound: 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0111
2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-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

E643-0111

Molecular Formula

C13H9BrFN3S (C13 H9 BrFN3 S)

Compound Name

2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

IUPAC name

2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridine

SMILES

Fc1c(CSc([nH]2)nc3c2nccc3)ccc(Br)c1

InChI

InChI=1S/C13H9BrFN3S/c14-9-4-3-8(10(15)6-9)7-19-13-17-11-2-1-5-16-12(11)18-13/h1-6H,7H2,(H,16,17,18)

InChI Key

LNITXMZLDICHDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.00

Polar Surface Area

28.354

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

E643-0111 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 E643-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0111?
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What is the minimum amount of E643-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0111
  • 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 E643-0111 available by request