E643-1171 Screening compound: N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide

E643-1171 Screening compound: N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide
E643-1171 Screening compound: N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1171
N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide

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

E643-1171

Molecular Formula

C23H16F6N4OS (C23 H16 F6 N4 OS)

Compound Name

N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide

IUPAC name

N-[3-(trifluoromethyl)phenyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-b]pyridin-3-yl]acetamide

SMILES

O=C(Cn1c(SCc2cc(C(F)(F)F)ccc2)nc2c1nccc2)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H16F6N4OS/c24-22(25,26)15-5-1-4-14(10-15)13-35-21-32-18-8-3-9-30-20(18)33(21)12-19(34)31-17-7-2-6-16(11-17)23(27,28)29/h1-11H,12-13H2,(H,31,34)

InChI Key

PNSMBOVZTWJLFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.192

Water Solubility, LogSw

-6.14

Polar Surface Area

43.533

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E643-1171 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 E643-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1171?
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What is the minimum amount of E643-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1171
  • 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 E643-1171 available by request