C212-0072 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0072 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0072 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0072
ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(2,4-dimethoxyphenyl)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

C212-0072

Molecular Formula

C31H28ClN3O5S (C31 H28 ClN3 O5 S)

Compound Name

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

IUPAC name

ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(24-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-14-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(c2ccccc2)NC(SCC(Nc(ccc(OC)c2)c2OC)=O)=C1C#N)=O

InChI

InChI=1S/C31H28ClN3O5S/c1-4-40-31(37)28-27(21-12-8-9-13-23(21)32)22(17-33)30(35-29(28)19-10-6-5-7-11-19)41-18-26(36)34-24-15-14-20(38-2)16-25(24)39-3/h5-16,27,35H,4,18H2,1-3H3,(H,34,36)/t27-/m1/s1

InChI Key

WVEGPLWTERJMQP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD05033549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.1

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

6.146

Distribution Coefficient, logD

1.803

Water Solubility, LogSw

-6.06

Polar Surface Area

85.439

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

C212-0072 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 C212-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0072?
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What is the minimum amount of C212-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0072
  • 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 C212-0072 available by request