8011-7403 Screening compound: 5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide

8011-7403 Screening compound: 5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
8011-7403 Screening compound: 5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7403
5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-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

8011-7403

Molecular Formula

C29H27N5O3S (C29 H27 N5 O3 S)

Compound Name

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

IUPAC name

5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenyl-14-dihydro-[44'-bipyridine]-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(CSC(NC(C)=C(C1c2ccncc2)C(Nc2ccccc2)=O)=C1C#N)=O

InChI

InChI=1S/C29H27N5O3S/c1-3-37-23-11-9-22(10-12-23)33-25(35)18-38-29-24(17-30)27(20-13-15-31-16-14-20)26(19(2)32-29)28(36)34-21-7-5-4-6-8-21/h4-16,27,32H,3,18H2,1-2H3,(H,33,35)(H,34,36)/t27-/m0/s1

InChI Key

HVQJSFIDKZUJNJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02235727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.86

Polar Surface Area

89.623

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

8011-7403 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 8011-7403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7403?
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What is the minimum amount of 8011-7403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7403
  • 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 8011-7403 available by request