C781-0115 Screening compound: N-(2,3-dimethylcyclohexyl)-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0115 Screening compound: N-(2,3-dimethylcyclohexyl)-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0115 Screening compound: N-(2,3-dimethylcyclohexyl)-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0115
N-(2,3-dimethylcyclohexyl)-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

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

C781-0115

Molecular Formula

C22H26N4OS (C22 H26 N4 OS)

Compound Name

N-(2,3-dimethylcyclohexyl)-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

IUPAC name

N-(23-dimethylcyclohexyl)-4-({1H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

CC(CCC1)C(C)C1NC(c1ccc(CSc2nc(cncc3)c3[nH]2)cc1)=O

InChI

InChI=1S/C22H26N4OS/c1-14-4-3-5-18(15(14)2)24-21(27)17-8-6-16(7-9-17)13-28-22-25-19-10-11-23-12-20(19)26-22/h6-12,14-15,18H,3-5,13H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

QDYADBANKQKCSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

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

3.156

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.35

Polar Surface Area

52.027

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.90

C781-0115 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 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 C781-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0115?
Check Price and Availability of C781-0115, 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 C781-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0115
  • 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 C781-0115 available by request