C212-0018 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0018 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0018 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0018
ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

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

C212-0018

Molecular Formula

C31H28ClN3O3S (C31 H28 ClN3 O3 S)

Compound Name

ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

IUPAC name

ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-14-dihydropyridine-3-carboxylate

SMILES

CCc(cccc1)c1NC(CSC(NC(c1ccccc1)=C(C1c(cccc2)c2Cl)C(OCC)=O)=C1C#N)=O

InChI

InChI=1S/C31H28ClN3O3S/c1-3-20-12-8-11-17-25(20)34-26(36)19-39-30-23(18-33)27(22-15-9-10-16-24(22)32)28(31(37)38-4-2)29(35-30)21-13-6-5-7-14-21/h5-17,27,35H,3-4,19H2,1-2H3,(H,34,36)/t27-/m1/s1

InChI Key

WMKZPBHBROMMSB-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD10086598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.901

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-6.29

Polar Surface Area

70.265

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

C212-0018 in Drug Discovery

Included in Screening Libraries

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 C212-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0018?
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What is the minimum amount of C212-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0018
  • 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 C212-0018 available by request