C875-1220 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}acetamido)benzoate

C875-1220 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}acetamido)benzoate
C875-1220 Screening compound: ethyl 2-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-1220
ethyl 2-(2-{3H-imidazo[4,5-c]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

C875-1220

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(CSc1nc(ccnc2)c2[nH]1)=O)=O

InChI

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

InChI Key

ISNKDTCGYKHXCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802710

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

2.176

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-2.58

Polar Surface Area

70.703

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C875-1220 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C875-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-1220?
Check Price and Availability of C875-1220, 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 C875-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-1220
  • 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 C875-1220 available by request