E643-0080 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

E643-0080 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide
E643-0080 Screening compound: N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0080
N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}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

E643-0080

Molecular Formula

C17H18N4OS (C17 H18 N4 OS)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

CCc(cccc1C)c1NC(CSc([nH]1)nc2c1nccc2)=O

InChI

InChI=1S/C17H18N4OS/c1-3-12-7-4-6-11(2)15(12)20-14(22)10-23-17-19-13-8-5-9-18-16(13)21-17/h4-9H,3,10H2,1-2H3,(H,20,22)(H,18,19,21)

InChI Key

PDQQKGWVFLARQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05679161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

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

2.643

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.59

Polar Surface Area

50.108

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E643-0080 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E643-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0080?
Check Price and Availability of E643-0080, 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 E643-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0080
  • 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 E643-0080 available by request