4296-0864 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

4296-0864 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
4296-0864 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0864
6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

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

4296-0864

Molecular Formula

C28H25BrN4O4S (C28 H25 BrN4 O4 S)

Compound Name

6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-14-dihydropyridine-3-carboxamide

SMILES

Cc1ccc(C(C(C(Nc(cccc2)c2OC)=O)=C(C)N2)C(C#N)=C2SCC(Nc(cc2)ccc2Br)=O)o1

InChI

InChI=1S/C28H25BrN4O4S/c1-16-8-13-23(37-16)26-20(14-30)28(38-15-24(34)32-19-11-9-18(29)10-12-19)31-17(2)25(26)27(35)33-21-6-4-5-7-22(21)36-3/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)/t26-/m1/s1

InChI Key

VWPWNJFIFCYGTK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03000116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-5.44

Polar Surface Area

88.096

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

4296-0864 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4296-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0864?
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What is the minimum amount of 4296-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0864
  • 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 4296-0864 available by request