E643-1880 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

E643-1880 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide
E643-1880 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1880
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

E643-1880

Molecular Formula

C16H14N4O3S (C16 H14 N4 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

O=C(CSc([nH]1)nc2c1nccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C16H14N4O3S/c21-14(9-24-16-19-11-2-1-5-17-15(11)20-16)18-10-3-4-12-13(8-10)23-7-6-22-12/h1-5,8H,6-7,9H2,(H,18,21)(H,17,19,20)

InChI Key

POZZKCSFQWMZNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05698381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.947

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-2.38

Polar Surface Area

67.326

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E643-1880 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E643-1880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1880?
Check Price and Availability of E643-1880, 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 E643-1880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1880
  • 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 E643-1880 available by request