C212-0079 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-2-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate

C212-0079 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-2-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
C212-0079 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-2-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0079
ethyl 4-(2-chlorophenyl)-5-cyano-2-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-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

C212-0079

Molecular Formula

C29H24ClN3O3S (C29 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(c2ccccc2)NC(SCC(Nc2ccccc2)=O)=C1C#N)=O

InChI

InChI=1S/C29H24ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3-16,25,33H,2,18H2,1H3,(H,32,34)/t25-/m1/s1

InChI Key

NRQAAYAVYJNHEA-RUZDIDTESA-N

MDL Number (MFCD)

MFCD05033529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.05

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

6.209

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-6.05

Polar Surface Area

70.963

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

C212-0079 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 C212-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0079?
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What is the minimum amount of C212-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0079
  • 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 C212-0079 available by request