E643-1203 Screening compound: 3-[(4-bromo-2-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine

E643-1203 Screening compound: 3-[(4-bromo-2-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine
E643-1203 Screening compound: 3-[(4-bromo-2-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1203
3-[(4-bromo-2-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]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

E643-1203

Molecular Formula

C21H14BrF4N3S (C21 H14 BrF4 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(CSc2nc3cccnc3n2Cc(ccc(Br)c2)c2F)c1)(F)F

InChI

InChI=1S/C21H14BrF4N3S/c22-16-7-6-14(17(23)10-16)11-29-19-18(5-2-8-27-19)28-20(29)30-12-13-3-1-4-15(9-13)21(24,25)26/h1-10H,11-12H2

InChI Key

DPKIOODUCBHADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.645

Distribution Coefficient, logD

6.645

Water Solubility, LogSw

-6.55

Polar Surface Area

20.384

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E643-1203 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E643-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1203?
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What is the minimum amount of E643-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1203
  • 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 E643-1203 available by request