4296-0443 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

4296-0443 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
4296-0443 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0443
2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-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

4296-0443

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CSC(NC(CCC1)=C(C2c(cccc3)c3OCC)C1=O)=C2C#N)=O

InChI

InChI=1S/C28H29N3O3S/c1-3-18-10-5-7-12-21(18)30-25(33)17-35-28-20(16-29)26(19-11-6-8-15-24(19)34-4-2)27-22(31-28)13-9-14-23(27)32/h5-8,10-12,15,26,31H,3-4,9,13-14,17H2,1-2H3,(H,30,33)/t26-/m0/s1

InChI Key

QKBZHGUDVPTULC-SANMLTNESA-N

MDL Number (MFCD)

MFCD02999957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-4.78

Polar Surface Area

70.059

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

4296-0443 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 4296-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0443?
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What is the minimum amount of 4296-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0443
  • 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 4296-0443 available by request