C212-0076 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-oxo-2-(propan-2-yloxy)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0076 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-oxo-2-(propan-2-yloxy)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0076 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-oxo-2-(propan-2-yloxy)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0076
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-oxo-2-(propan-2-yloxy)ethyl]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

C212-0076

Molecular Formula

C26H25ClN2O4S (C26 H25 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H25ClN2O4S/c1-4-32-26(31)23-22(18-12-8-9-13-20(18)27)19(14-28)25(34-15-21(30)33-16(2)3)29-24(23)17-10-6-5-7-11-17/h5-13,16,22,29H,4,15H2,1-3H3/t22-/m1/s1

InChI Key

UXRLSWGMABSFPV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05033562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.890

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-5.93

Polar Surface Area

67.923

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C212-0076 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 C212-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0076?
Check Price and Availability of C212-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C212-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0076
  • 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 C212-0076 available by request