E643-0029 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

E643-0029 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
E643-0029 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0029
2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]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

E643-0029

Molecular Formula

C15H11F3N4OS (C15 H11 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc([nH]1)nc2c1nccc2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H11F3N4OS/c16-15(17,18)9-4-1-2-5-10(9)20-12(23)8-24-14-21-11-6-3-7-19-13(11)22-14/h1-7H,8H2,(H,20,23)(H,19,21,22)

InChI Key

CGURESKULVKVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-3.08

Polar Surface Area

50.806

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

E643-0029 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E643-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0029?
Check Price and Availability of E643-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E643-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0029
  • 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 E643-0029 available by request