E643-1160 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide

E643-1160 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]acetamide
E643-1160 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 E643-1160
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E643-1160

Molecular Formula

C26H25F3N4O3S (C26 H25 F3 N4 O3 S)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-b]pyridin-3-yl]acetamide

SMILES

COc(ccc(CCNC(Cn1c(SCc2cc(C(F)(F)F)ccc2)nc2c1nccc2)=O)c1)c1OC

InChI

InChI=1S/C26H25F3N4O3S/c1-35-21-9-8-17(14-22(21)36-2)10-12-30-23(34)15-33-24-20(7-4-11-31-24)32-25(33)37-16-18-5-3-6-19(13-18)26(27,28)29/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,30,34)

InChI Key

UZRXRPVORRQXTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.23

Polar Surface Area

59.958

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E643-1160 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 E643-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1160?
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What is the minimum amount of E643-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1160
  • 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 E643-1160 available by request