E643-0074 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

E643-0074 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate
E643-0074 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0074
ethyl 2-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

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

E643-0074

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

ethyl 2-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc([nH]1)nc2c1nccc2)=O)=O

InChI

InChI=1S/C17H16N4O3S/c1-2-24-16(23)11-6-3-4-7-12(11)19-14(22)10-25-17-20-13-8-5-9-18-15(13)21-17/h3-9H,2,10H2,1H3,(H,19,22)(H,18,20,21)

InChI Key

TXTXVSHQJWVJAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.88

Polar Surface Area

71.559

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E643-0074 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Proteases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E643-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0074?
Check Price and Availability of E643-0074, 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 E643-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0074
  • 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 E643-0074 available by request