4296-0304 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

4296-0304 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
4296-0304 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0304
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

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

4296-0304

Molecular Formula

C26H22ClN3O4S (C26 H22 ClN3 O4 S)

Compound Name

2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

IUPAC name

2-{[4-(2H-13-benzodioxol-5-yl)-3-cyano-5-oxo-145678-hexahydroquinolin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

SMILES

Cc(c(NC(CSC(NC(CCC1)=C(C2c(cc3)cc4c3OCO4)C1=O)=C2C#N)=O)ccc1)c1Cl

InChI

InChI=1S/C26H22ClN3O4S/c1-14-17(27)4-2-5-18(14)29-23(32)12-35-26-16(11-28)24(25-19(30-26)6-3-7-20(25)31)15-8-9-21-22(10-15)34-13-33-21/h2,4-5,8-10,24,30H,3,6-7,12-13H2,1H3,(H,29,32)/t24-/m0/s1

InChI Key

WUXFUKGEEVNAAH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02999082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-5.01

Polar Surface Area

79.965

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4296-0304 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 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 4296-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0304?
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What is the minimum amount of 4296-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0304
  • 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 4296-0304 available by request