4296-0125 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide

4296-0125 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
4296-0125 Screening compound: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0125
4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-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

4296-0125

Molecular Formula

C28H23ClN4O2S (C28 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H23ClN4O2S/c1-18-25(27(35)33-20-12-6-3-7-13-20)26(21-14-8-9-15-23(21)29)22(16-30)28(31-18)36-17-24(34)32-19-10-4-2-5-11-19/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)/t26-/m1/s1

InChI Key

NLTSUYZQUJKEJO-AREMUKBSSA-N

MDL Number (MFCD)

MFCD00569818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.343

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-5.79

Polar Surface Area

73.071

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

4296-0125 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4296-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0125?
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What is the minimum amount of 4296-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0125
  • 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 4296-0125 available by request