4296-0288 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxamide

4296-0288 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxamide
4296-0288 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0288
4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-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

4296-0288

Molecular Formula

C24H22ClN3OS (C24 H22 ClN3 OS)

Compound Name

4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(prop-2-en-1-ylsulfanyl)-14-dihydropyridine-3-carboxamide

SMILES

Cc(cccc1)c1NC(C(C1c(cccc2)c2Cl)=C(C)NC(SCC=C)=C1C#N)=O

InChI

InChI=1S/C24H22ClN3OS/c1-4-13-30-24-18(14-26)22(17-10-6-7-11-19(17)25)21(16(3)27-24)23(29)28-20-12-8-5-9-15(20)2/h4-12,22,27H,1,13H2,2-3H3,(H,28,29)/t22-/m1/s1

InChI Key

GFNYADTXSWZXTH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00977670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.526

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-5.83

Polar Surface Area

49.495

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4296-0288 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 4296-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0288?
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What is the minimum amount of 4296-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0288
  • 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 4296-0288 available by request