E643-2017 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}propanamide

E643-2017 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}propanamide
E643-2017 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-2017
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}propanamide

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

E643-2017

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-10(25-17-20-12-3-2-6-18-15(12)21-17)16(22)19-11-4-5-13-14(9-11)24-8-7-23-13/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m0/s1

InChI Key

VQABZAUAZZVNFM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27600869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

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

1.450

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-2.42

Polar Surface Area

67.540

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

E643-2017 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E643-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-2017?
Check Price and Availability of E643-2017, 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 E643-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-2017
  • 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 E643-2017 available by request