8011-7443 Screening compound: N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide

8011-7443 Screening compound: N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
8011-7443 Screening compound: N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7443
N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide

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

8011-7443

Molecular Formula

C29H25ClN4O2S (C29 H25 ClN4 O2 S)

Compound Name

N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-14-dihydropyridine-3-carboxamide

SMILES

Cc1cccc(NC(CSC(NC(C)=C(C2c3ccccc3)C(Nc(cc3)ccc3Cl)=O)=C2C#N)=O)c1

InChI

InChI=1S/C29H25ClN4O2S/c1-18-7-6-10-23(15-18)33-25(35)17-37-29-24(16-31)27(20-8-4-3-5-9-20)26(19(2)32-29)28(36)34-22-13-11-21(30)12-14-22/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)/t27-/m1/s1

InChI Key

UHTZTMIVKGRCEH-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02237453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.874

Distribution Coefficient, logD

5.160

Water Solubility, LogSw

-6.11

Polar Surface Area

73.071

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

8011-7443 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-7443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7443?
Check Price and Availability of 8011-7443, 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 8011-7443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7443
  • 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 8011-7443 available by request