4281-0280 Screening compound: propan-2-yl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate

4281-0280 Screening compound: propan-2-yl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate
4281-0280 Screening compound: propan-2-yl 4-(2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-0280
propan-2-yl 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

4281-0280

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c(cc1)ccc1NC(CSc([nH]1)nc2c1nccc2)=O)=O

InChI

InChI=1S/C18H18N4O3S/c1-11(2)25-17(24)12-5-7-13(8-6-12)20-15(23)10-26-18-21-14-4-3-9-19-16(14)22-18/h3-9,11H,10H2,1-2H3,(H,20,23)(H,19,21,22)

InChI Key

GWJHQYSDQMMZRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

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

2.670

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.98

Polar Surface Area

71.936

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4281-0280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4281-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-0280?
Check Price and Availability of 4281-0280, 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 4281-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-0280
  • 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 4281-0280 available by request