5254-2784 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

5254-2784 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate
5254-2784 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5254-2784
ethyl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

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

5254-2784

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

ethyl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc([nH]1)nc2c1nccc2)=O)=O

InChI

InChI=1S/C17H16N4O3S/c1-2-24-16(23)11-5-7-12(8-6-11)19-14(22)10-25-17-20-13-4-3-9-18-15(13)21-17/h3-9H,2,10H2,1H3,(H,19,22)(H,18,20,21)

InChI Key

YDFHINTVXCWWGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.79

Polar Surface Area

72.257

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5254-2784 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5254-2784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5254-2784?
Check Price and Availability of 5254-2784, 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 5254-2784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5254-2784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5254-2784
  • 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 5254-2784 available by request