4296-0385 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

4296-0385 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide
4296-0385 Screening compound: N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0385
N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-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

4296-0385

Molecular Formula

C35H27ClN4O4S (C35 H27 ClN4 O4 S)

Compound Name

N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({[(4-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxamide

SMILES

Cc(c(C(Nc(cc1)ccc1Cl)=O)c1-c(cc2)ccc2OC)nc(SCC(Nc(cc2)ccc2Oc2ccccc2)=O)c1C#N

InChI

InChI=1S/C35H27ClN4O4S/c1-22-32(34(42)40-26-12-10-24(36)11-13-26)33(23-8-16-27(43-2)17-9-23)30(20-37)35(38-22)45-21-31(41)39-25-14-18-29(19-15-25)44-28-6-4-3-5-7-28/h3-19H,21H2,1-2H3,(H,39,41)(H,40,42)

InChI Key

RZRCWKBBJLARHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.170

Distribution Coefficient, logD

8.140

Water Solubility, LogSw

-6.68

Polar Surface Area

86.608

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.60

4296-0385 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 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 4296-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0385?
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What is the minimum amount of 4296-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0385
  • 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 4296-0385 available by request