C781-0222 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0222 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0222 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0222
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-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

C781-0222

Molecular Formula

C29H34N6OS (C29 H34 N6 OS)

Compound Name

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

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

Cc1cc(N2CCN(CCCNC(c3ccc(CSc4nc(cncc5)c5[nH]4)cc3)=O)CC2)c(C)cc1

InChI

InChI=1S/C29H34N6OS/c1-21-4-5-22(2)27(18-21)35-16-14-34(15-17-35)13-3-11-31-28(36)24-8-6-23(7-9-24)20-37-29-32-25-10-12-30-19-26(25)33-29/h4-10,12,18-19H,3,11,13-17,20H2,1-2H3,(H,31,36)(H,32,33)

InChI Key

WZUQDPRRGAUULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.70

Polar Surface Area

58.695

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C781-0222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C781-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0222?
Check Price and Availability of C781-0222, 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 C781-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0222
  • 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 C781-0222 available by request