C875-0961 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]acetamide

C875-0961 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]acetamide
C875-0961 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0961
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]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

C875-0961

Molecular Formula

C24H25F3N4OS (C24 H25 F3 N4 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridin-3-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[45-c]pyridin-3-yl]acetamide

SMILES

O=C(Cn1c(SCc2cc(C(F)(F)F)ccc2)nc2c1cncc2)NCCC1=CCCCC1

InChI

InChI=1S/C24H25F3N4OS/c25-24(26,27)19-8-4-7-18(13-19)16-33-23-30-20-10-11-28-14-21(20)31(23)15-22(32)29-12-9-17-5-2-1-3-6-17/h4-5,7-8,10-11,13-14H,1-3,6,9,12,15-16H2,(H,29,32)

InChI Key

ROYKCZZJGXPIJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.64

Polar Surface Area

44.500

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C875-0961 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C875-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0961?
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What is the minimum amount of C875-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0961
  • 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 C875-0961 available by request