C212-0064 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(4-acetamidophenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0064 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(4-acetamidophenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0064 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(4-acetamidophenyl)carbamoyl]methyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0064
ethyl 4-(2-chlorophenyl)-5-cyano-6-({[(4-acetamidophenyl)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

C212-0064

Molecular Formula

C31H27ClN4O4S (C31 H27 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(c2ccccc2)NC(SCC(Nc(cc2)ccc2NC(C)=O)=O)=C1C#N)=O

InChI

InChI=1S/C31H27ClN4O4S/c1-3-40-31(39)28-27(23-11-7-8-12-25(23)32)24(17-33)30(36-29(28)20-9-5-4-6-10-20)41-18-26(38)35-22-15-13-21(14-16-22)34-19(2)37/h4-16,27,36H,3,18H2,1-2H3,(H,34,37)(H,35,38)/t27-/m1/s1

InChI Key

HDEDVXRQIJVMEO-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD05033559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.602

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-5.83

Polar Surface Area

94.225

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with C212-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0064?
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What is the minimum amount of C212-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0064
  • 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 C212-0064 available by request