8010-9959 Screening compound: 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

8010-9959 Screening compound: 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
8010-9959 Screening compound: 5-cyano-6-({[(3,4-dimethylphenyl)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 8010-9959
5-cyano-6-({[(3,4-dimethylphenyl)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

8010-9959

Molecular Formula

C28H26N4O3S (C28 H26 N4 O3 S)

Compound Name

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

IUPAC name

5-cyano-6-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-14-dihydropyridine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(CSC(NC(C)=C(C1c2ccco2)C(Nc2ccccc2)=O)=C1C#N)=O

InChI

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

InChI Key

JCAIXENUOQYGBD-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02235538

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.59

Polar Surface Area

81.649

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

8010-9959 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 8010-9959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9959?
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What is the minimum amount of 8010-9959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9959
  • 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 8010-9959 available by request