4296-0149 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide

4296-0149 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
4296-0149 Screening compound: N-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0149
N-(4-chlorophenyl)-5-cyano-6-({[(4-ethoxyphenyl)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

4296-0149

Molecular Formula

C29H26ClN5O3S (C29 H26 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(NC(C)=C(C1c2ccncc2)C(Nc(cc2)ccc2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C29H26ClN5O3S/c1-3-38-23-10-8-21(9-11-23)34-25(36)17-39-29-24(16-31)27(19-12-14-32-15-13-19)26(18(2)33-29)28(37)35-22-6-4-20(30)5-7-22/h4-15,27,33H,3,17H2,1-2H3,(H,34,36)(H,35,37)/t27-/m1/s1

InChI Key

YGUJJOWAYXYXGC-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02235889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-5.02

Polar Surface Area

89.623

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

4296-0149 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4296-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0149?
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What is the minimum amount of 4296-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0149
  • 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 4296-0149 available by request