C875-0041 Screening compound: 2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

C875-0041 Screening compound: 2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
C875-0041 Screening compound: 2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0041
2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

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

C875-0041

Molecular Formula

C15H11F3N4OS (C15 H11 F3 N4 OS)

Compound Name

2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{3H-imidazo[45-c]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nc(ccnc2)c2[nH]1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H11F3N4OS/c16-15(17,18)9-3-1-2-4-10(9)20-13(23)8-24-14-21-11-5-6-19-7-12(11)22-14/h1-7H,8H2,(H,20,23)(H,21,22)

InChI Key

PKZATRDZVAOBFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.34

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

2.423

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.76

Polar Surface Area

49.949

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C875-0041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C875-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0041?
Check Price and Availability of C875-0041, 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 C875-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0041
  • 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 C875-0041 available by request