5742-0484 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl acetate

5742-0484 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl acetate
5742-0484 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0484
2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl acetate

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

5742-0484

Molecular Formula

C19H16ClNO3S (C19 H16 ClNO3 S)

Compound Name

2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl acetate

IUPAC name

2-[(6-chloro-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)sulfanyl]ethyl acetate

SMILES

CC(OCCSC1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O

InChI

InChI=1S/C19H16ClNO3S/c1-12(22)24-9-10-25-18-17(13-5-3-2-4-6-13)15-11-14(20)7-8-16(15)21-19(18)23/h2-8,11H,9-10H2,1H3,(H,21,23)

InChI Key

NPEDZECYCSLQFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.36

Polar Surface Area

45.994

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5742-0484 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5742-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0484?
Check Price and Availability of 5742-0484, 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 5742-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0484
  • 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 5742-0484 available by request