E643-1151 Screening compound: 3-[(3-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine

E643-1151 Screening compound: 3-[(3-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine
E643-1151 Screening compound: 3-[(3-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1151
3-[(3-methoxyphenyl)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

E643-1151

Molecular Formula

C22H18F3N3OS (C22 H18 F3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(Cn2c(SCc3cc(C(F)(F)F)ccc3)nc3c2nccc3)c1

InChI

InChI=1S/C22H18F3N3OS/c1-29-18-8-3-5-15(12-18)13-28-20-19(9-4-10-26-20)27-21(28)30-14-16-6-2-7-17(11-16)22(23,24)25/h2-12H,13-14H2,1H3

InChI Key

YUVDPJKHFJHFGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.67

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

18.20

E643-1151 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E643-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1151?
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What is the minimum amount of E643-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1151
  • 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 E643-1151 available by request