C212-0058 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0058 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0058 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0058
ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-ethyl-6-methylphenyl)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

C212-0058

Molecular Formula

C32H30ClN3O3S (C32 H30 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1C)c1NC(CSC(NC(c1ccccc1)=C(C1c(cccc2)c2Cl)C(OCC)=O)=C1C#N)=O

InChI

InChI=1S/C32H30ClN3O3S/c1-4-21-15-11-12-20(3)29(21)35-26(37)19-40-31-24(18-34)27(23-16-9-10-17-25(23)33)28(32(38)39-5-2)30(36-31)22-13-7-6-8-14-22/h6-17,27,36H,4-5,19H2,1-3H3,(H,35,37)/t27-/m1/s1

InChI Key

DPUGTSBOYBLWRO-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD05717327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.13

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

7.070

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-6.28

Polar Surface Area

69.567

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

C212-0058 in Drug Discovery

Included in Screening Libraries

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

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 C212-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0058?
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What is the minimum amount of C212-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0058
  • 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 C212-0058 available by request