8011-7203 Screening compound: 5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

8011-7203 Screening compound: 5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
8011-7203 Screening compound: 5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7203
5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-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

8011-7203

Molecular Formula

C28H26N4O3S (C28 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CSC(NC(C)=C(C1c2ccco2)C(Nc2ccccc2)=O)=C1C#N)=O

InChI

InChI=1S/C28H26N4O3S/c1-3-19-10-7-8-13-22(19)32-24(33)17-36-28-21(16-29)26(23-14-9-15-35-23)25(18(2)30-28)27(34)31-20-11-5-4-6-12-20/h4-15,26,30H,3,17H2,1-2H3,(H,31,34)(H,32,33)/t26-/m1/s1

InChI Key

LMQBAQAVNSNAIG-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02232529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.61

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

4.505

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.16

Polar Surface Area

80.952

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

8011-7203 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 8011-7203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7203?
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What is the minimum amount of 8011-7203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7203
  • 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 8011-7203 available by request