C212-0120 Screening compound: ethyl 4-(2-chlorophenyl)-6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0120 Screening compound: ethyl 4-(2-chlorophenyl)-6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0120 Screening compound: ethyl 4-(2-chlorophenyl)-6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0120
ethyl 4-(2-chlorophenyl)-6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-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

C212-0120

Molecular Formula

C29H23Cl2N3O3S (C29 H23 Cl2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(c2ccccc2)NC(SCC(Nc(cc2)ccc2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C29H23Cl2N3O3S/c1-2-37-29(36)26-25(21-10-6-7-11-23(21)31)22(16-32)28(34-27(26)18-8-4-3-5-9-18)38-17-24(35)33-20-14-12-19(30)13-15-20/h3-15,25,34H,2,17H2,1H3,(H,33,35)/t25-/m1/s1

InChI Key

YWVUDZWZULUXOR-RUZDIDTESA-N

MDL Number (MFCD)

MFCD05717331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.996

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-6.31

Polar Surface Area

70.963

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

C212-0120 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 C212-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0120?
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What is the minimum amount of C212-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0120
  • 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 C212-0120 available by request