4296-0468 Screening compound: 4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide

4296-0468 Screening compound: 4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
4296-0468 Screening compound: 4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0468
4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-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

4296-0468

Molecular Formula

C30H25ClN4O3S (C30 H25 ClN4 O3 S)

Compound Name

4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide

IUPAC name

4-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(CSc1nc(C)c(C(Nc2ccccc2)=O)c(-c(cc2)ccc2Cl)c1C#N)=O

InChI

InChI=1S/C30H25ClN4O3S/c1-3-38-24-15-13-23(14-16-24)34-26(36)18-39-30-25(17-32)28(20-9-11-21(31)12-10-20)27(19(2)33-30)29(37)35-22-7-5-4-6-8-22/h4-16H,3,18H2,1-2H3,(H,34,36)(H,35,37)

InChI Key

HBDZXHVNBHWKJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.675

Distribution Coefficient, logD

6.674

Water Solubility, LogSw

-6.30

Polar Surface Area

79.440

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4296-0468 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human Proteases Annotated Library (2868 compounds)

MCL1 Targeted Library (12200 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4296-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0468?
Check Price and Availability of 4296-0468, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4296-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0468
  • 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 4296-0468 available by request