C212-0091 Screening compound: ethyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

C212-0091 Screening compound: ethyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
C212-0091 Screening compound: ethyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C212-0091
ethyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-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

C212-0091

Molecular Formula

C29H27N3O4S (C29 H27 N3 O4 S)

Compound Name

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

IUPAC name

ethyl 5-cyano-6-({[(34-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-14-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C1c2ccco2)=C(c2ccccc2)NC(SCC(Nc2cc(C)c(C)cc2)=O)=C1C#N)=O

InChI

InChI=1S/C29H27N3O4S/c1-4-35-29(34)26-25(23-11-8-14-36-23)22(16-30)28(32-27(26)20-9-6-5-7-10-20)37-17-24(33)31-21-13-12-18(2)19(3)15-21/h5-15,25,32H,4,17H2,1-3H3,(H,31,33)/t25-/m1/s1

InChI Key

OIKFQDKJZBXKQM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD05033550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.859

Distribution Coefficient, logD

1.200

Water Solubility, LogSw

-5.40

Polar Surface Area

79.541

Acid Dissociation Constant (pKa)

2.74

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

C212-0091 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 C212-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C212-0091?
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What is the minimum amount of C212-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C212-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C212-0091
  • 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 C212-0091 available by request