4296-0435 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide

4296-0435 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
4296-0435 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0435
N-(4-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}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

4296-0435

Molecular Formula

C22H18ClN3O2S2 (C22 H18 ClN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(c1cccs1)C(C(CCC1)=O)=C1N1)=C1SCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H18ClN3O2S2/c23-13-6-8-14(9-7-13)25-19(28)12-30-22-15(11-24)20(18-5-2-10-29-18)21-16(26-22)3-1-4-17(21)27/h2,5-10,20,26H,1,3-4,12H2,(H,25,28)/t20-/m1/s1

InChI Key

SGQIXNAZVOCLBT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02999474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-4.66

Polar Surface Area

64.565

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

4296-0435 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 4296-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0435?
Check Price and Availability of 4296-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4296-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0435
  • 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 4296-0435 available by request