8011-7393 Screening compound: 6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

8011-7393 Screening compound: 6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
8011-7393 Screening compound: 6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7393
6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-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

8011-7393

Molecular Formula

C30H27ClN4O3S (C30 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C(C(C(Nc2ccccc2)=O)=C(C)N2)C(C#N)=C2SCC(Nc(cc2)ccc2Cl)=O)cccc1

InChI

InChI=1S/C30H27ClN4O3S/c1-3-38-25-12-8-7-11-23(25)28-24(17-32)30(39-18-26(36)34-22-15-13-20(31)14-16-22)33-19(2)27(28)29(37)35-21-9-5-4-6-10-21/h4-16,28,33H,3,18H2,1-2H3,(H,34,36)(H,35,37)/t28-/m0/s1

InChI Key

VFVLDXZUAYQIJR-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02237527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.936

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-6.00

Polar Surface Area

80.281

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8011-7393 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8011-7393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7393?
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What is the minimum amount of 8011-7393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7393
  • 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 8011-7393 available by request