8011-7430 Screening compound: 6-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide

8011-7430 Screening compound: 6-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
8011-7430 Screening compound: 6-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7430
6-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-methyl-N-(2-methylphenyl)-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

8011-7430

Molecular Formula

C30H27ClN4O3S (C30 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(C(C1c2ccccc2)=C(C)NC(SCC(Nc(cc(cc2)Cl)c2OC)=O)=C1C#N)=O

InChI

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

InChI Key

LOIOZXBKOZRTFP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02237009

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

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-5.65

Polar Surface Area

79.306

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8011-7430 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 8011-7430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7430?
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What is the minimum amount of 8011-7430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7430
  • 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 8011-7430 available by request