E643-0053 Screening compound: 2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridine

E643-0053 Screening compound: 2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
E643-0053 Screening compound: 2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0053
2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridine

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

E643-0053

Molecular Formula

C13H11N3S (C13 H11 N3 S)

Compound Name

2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridine

IUPAC name

2-(benzylsulfanyl)-3H-imidazo[45-b]pyridine

SMILES

C(c1ccccc1)Sc([nH]1)nc2c1nccc2

InChI

InChI=1S/C13H11N3S/c1-2-5-10(6-3-1)9-17-13-15-11-7-4-8-14-12(11)16-13/h1-8H,9H2,(H,14,15,16)

InChI Key

XVUSYXIMPHYNBT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.22

Polar Surface Area

28.354

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

E643-0053 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with E643-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0053?
Check Price and Availability of E643-0053, 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 E643-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0053
  • 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 E643-0053 available by request