4296-0578 Screening compound: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-3-carboxamide

4296-0578 Screening compound: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-3-carboxamide
4296-0578 Screening compound: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0578
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-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

4296-0578

Molecular Formula

C31H28N4O4S (C31 H28 N4 O4 S)

Compound Name

5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-3-carboxamide

IUPAC name

5-cyano-4-(34-dimethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N-phenylpyridine-3-carboxamide

SMILES

Cc(cccc1)c1NC(CSc1nc(C)c(C(Nc2ccccc2)=O)c(-c(cc2)cc(OC)c2OC)c1C#N)=O

InChI

InChI=1S/C31H28N4O4S/c1-19-10-8-9-13-24(19)35-27(36)18-40-31-23(17-32)29(21-14-15-25(38-3)26(16-21)39-4)28(20(2)33-31)30(37)34-22-11-6-5-7-12-22/h5-16H,18H2,1-4H3,(H,34,37)(H,35,36)

InChI Key

PHBXCQHBDGMLOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02999442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.78

Polar Surface Area

86.879

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

4296-0578 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4296-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0578?
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What is the minimum amount of 4296-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0578
  • 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 4296-0578 available by request