4296-0762 Screening compound: prop-2-en-1-yl 5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

4296-0762 Screening compound: prop-2-en-1-yl 5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
4296-0762 Screening compound: prop-2-en-1-yl 5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0762
prop-2-en-1-yl 5-cyano-6-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-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

4296-0762

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

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

IUPAC name

prop-2-en-1-yl 5-cyano-6-({[(24-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(furan-2-yl)-2-methyl-14-dihydropyridine-3-carboxylate

SMILES

Cc(cc1)cc(C)c1NC(CSC(NC(C)=C(C1c2ccco2)C(OCC=C)=O)=C1C#N)=O

InChI

InChI=1S/C25H25N3O4S/c1-5-10-32-25(30)22-17(4)27-24(18(13-26)23(22)20-7-6-11-31-20)33-14-21(29)28-19-9-8-15(2)12-16(19)3/h5-9,11-12,23,27H,1,10,14H2,2-4H3,(H,28,29)/t23-/m1/s1

InChI Key

JABBUMJUGLLQLE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03001025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

4.070

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-3.94

Polar Surface Area

78.908

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

4296-0762 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 4296-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0762?
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What is the minimum amount of 4296-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0762
  • 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 4296-0762 available by request