C212-0026 Screening compound: ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0026 Screening compound: ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0026 Screening compound: ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0026
ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-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

C212-0026

Molecular Formula

C27H27ClN2O4S (C27 H27 ClN2 O4 S)

Compound Name

ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate

IUPAC name

ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-14-dihydropyridine-3-carboxylate

SMILES

CCCCOC(CSC(NC(c1ccccc1)=C(C1c(cccc2)c2Cl)C(OCC)=O)=C1C#N)=O

InChI

InChI=1S/C27H27ClN2O4S/c1-3-5-15-34-22(31)17-35-26-20(16-29)23(19-13-9-10-14-21(19)28)24(27(32)33-4-2)25(30-26)18-11-7-6-8-12-18/h6-14,23,30H,3-5,15,17H2,1-2H3/t23-/m1/s1

InChI Key

XWXOKZZLNNKSON-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05717341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-6.10

Polar Surface Area

68.538

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C212-0026 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 C212-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0026?
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What is the minimum amount of C212-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0026
  • 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 C212-0026 available by request