4296-0913 Screening compound: 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

4296-0913 Screening compound: 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
4296-0913 Screening compound: 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0913
2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)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

4296-0913

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

IUPAC name

2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-145678-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(NC(CCC1)=C(C2c3ccc(C)o3)C1=O)=C2C#N)=O

InChI

InChI=1S/C25H25N3O3S/c1-3-16-8-10-17(11-9-16)27-22(30)14-32-25-18(13-26)23(21-12-7-15(2)31-21)24-19(28-25)5-4-6-20(24)29/h7-12,23,28H,3-6,14H2,1-2H3,(H,27,30)/t23-/m1/s1

InChI Key

UXDYQHIZUJAMBA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02999673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-4.33

Polar Surface Area

71.639

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

4296-0913 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 4296-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0913?
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What is the minimum amount of 4296-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0913
  • 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 4296-0913 available by request