C875-1284 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}butanamido)benzoate

C875-1284 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}butanamido)benzoate
C875-1284 Screening compound: ethyl 4-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}butanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-1284
ethyl 4-(2-{3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}butanamido)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

C875-1284

Molecular Formula

C19H20N4O3S (C19 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)Sc1nc(ccnc2)c2[nH]1

InChI

InChI=1S/C19H20N4O3S/c1-3-16(27-19-22-14-9-10-20-11-15(14)23-19)17(24)21-13-7-5-12(6-8-13)18(25)26-4-2/h5-11,16H,3-4H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1

InChI Key

ZFLVCHJPDRODCQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14802735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.55

Polar Surface Area

71.614

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C875-1284 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C875-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-1284?
Check Price and Availability of C875-1284, 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 C875-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-1284
  • 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 C875-1284 available by request