5782-5433 Screening compound: 2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

5782-5433 Screening compound: 2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate
5782-5433 Screening compound: 2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-5433
2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

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

5782-5433

Molecular Formula

C22H15NO3S (C22 H15 NO3 S)

Compound Name

2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

IUPAC name

2-oxo-2-phenylethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

SMILES

O=C(COC(c1cc(-c2cccs2)nc2ccccc12)=O)c1ccccc1

InChI

InChI=1S/C22H15NO3S/c24-20(15-7-2-1-3-8-15)14-26-22(25)17-13-19(21-11-6-12-27-21)23-18-10-5-4-9-16(17)18/h1-13H,14H2

InChI Key

OBUTVQPXFQUYDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03274180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-5.63

Polar Surface Area

43.421

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5782-5433 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5782-5433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-5433?
Check Price and Availability of 5782-5433, 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 5782-5433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-5433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-5433
  • 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 5782-5433 available by request