E643-2031 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-(2,3,5,6-tetrafluorophenyl)butanamide

E643-2031 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-(2,3,5,6-tetrafluorophenyl)butanamide
E643-2031 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-(2,3,5,6-tetrafluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-2031
2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-(2,3,5,6-tetrafluorophenyl)butanamide

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

E643-2031

Molecular Formula

C16H12F4N4OS (C16 H12 F4 N4 OS)

Compound Name

2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-N-(2,3,5,6-tetrafluorophenyl)butanamide

IUPAC name

2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}-N-(2356-tetrafluorophenyl)butanamide

SMILES

CCC(C(Nc(c(F)c(cc1F)F)c1F)=O)Sc([nH]1)nc2c1nccc2

InChI

InChI=1S/C16H12F4N4OS/c1-2-10(26-16-22-9-4-3-5-21-14(9)24-16)15(25)23-13-11(19)7(17)6-8(18)12(13)20/h3-6,10H,2H2,1H3,(H,23,25)(H,21,22,24)/t10-/m0/s1

InChI Key

BEAGPWKUKHNHQA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14907250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.36

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

3.380

Distribution Coefficient, logD

0.828

Water Solubility, LogSw

-3.71

Polar Surface Area

50.321

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

E643-2031 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E643-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-2031?
Check Price and Availability of E643-2031, 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 E643-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-2031
  • 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 E643-2031 available by request