8009-7258 Screening compound: 4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

8009-7258 Screening compound: 4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
8009-7258 Screening compound: 4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7258
4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-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

8009-7258

Molecular Formula

C22H17ClN4OS (C22 H17 ClN4 OS)

Compound Name

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

IUPAC name

4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-N-phenyl-14-dihydropyridine-3-carboxamide

SMILES

CC(NC(SCC#N)=C(C1c(cccc2)c2Cl)C#N)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C22H17ClN4OS/c1-14-19(21(28)27-15-7-3-2-4-8-15)20(16-9-5-6-10-18(16)23)17(13-25)22(26-14)29-12-11-24/h2-10,20,26H,12H2,1H3,(H,27,28)/t20-/m1/s1

InChI Key

SOYXLZIWRJMWKE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00569826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-4.32

Polar Surface Area

67.685

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

8009-7258 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-7258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7258?
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What is the minimum amount of 8009-7258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7258
  • 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 8009-7258 available by request