C212-0080 Screening compound: ethyl 5-cyano-4-(furan-2-yl)-2-phenyl-6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate

C212-0080 Screening compound: ethyl 5-cyano-4-(furan-2-yl)-2-phenyl-6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
C212-0080 Screening compound: ethyl 5-cyano-4-(furan-2-yl)-2-phenyl-6-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0080
ethyl 5-cyano-4-(furan-2-yl)-2-phenyl-6-[({[2-(trifluoromethyl)phenyl]carbamoyl}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

C212-0080

Molecular Formula

C28H22F3N3O4S (C28 H22 F3 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c2ccco2)=C(c2ccccc2)NC(SCC(Nc2c(C(F)(F)F)cccc2)=O)=C1C#N)=O

InChI

InChI=1S/C28H22F3N3O4S/c1-2-37-27(36)24-23(21-13-8-14-38-21)18(15-32)26(34-25(24)17-9-4-3-5-10-17)39-16-22(35)33-20-12-7-6-11-19(20)28(29,30)31/h3-14,23,34H,2,16H2,1H3,(H,33,35)/t23-/m1/s1

InChI Key

PQOVRSSRFAOZSL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05033535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.387

Distribution Coefficient, logD

0.728

Water Solubility, LogSw

-5.40

Polar Surface Area

78.844

Acid Dissociation Constant (pKa)

2.74

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

C212-0080 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 C212-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0080?
Check Price and Availability of C212-0080, 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 C212-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0080
  • 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 C212-0080 available by request