4296-0600 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide

4296-0600 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
4296-0600 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0600
N-(4-chlorophenyl)-5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-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

4296-0600

Molecular Formula

C29H26ClN5O2S (C29 H26 ClN5 O2 S)

Compound Name

N-(4-chlorophenyl)-5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-cyano-6-({[(24-dimethylphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-14-dihydro-[44'-bipyridine]-3-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(CSC(NC(C)=C(C1c2ccncc2)C(Nc(cc2)ccc2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C29H26ClN5O2S/c1-17-4-9-24(18(2)14-17)35-25(36)16-38-29-23(15-31)27(20-10-12-32-13-11-20)26(19(3)33-29)28(37)34-22-7-5-21(30)6-8-22/h4-14,27,33H,16H2,1-3H3,(H,34,37)(H,35,36)/t27-/m1/s1

InChI Key

ZHBFCMJKLUNTIA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03000478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.08

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

4.835

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.94

Polar Surface Area

81.801

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

4296-0600 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4296-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0600?
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What is the minimum amount of 4296-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0600
  • 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 4296-0600 available by request