5585-1735 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

5585-1735 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate
5585-1735 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5585-1735
2-(4-fluorophenyl)-2-oxoethyl 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

5585-1735

Molecular Formula

C22H14FNO3S (C22 H14 FNO3 S)

Compound Name

2-(4-fluorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

IUPAC name

2-(4-fluorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate

SMILES

O=C(COC(c1cc(-c2cccs2)nc2ccccc12)=O)c(cc1)ccc1F

InChI

InChI=1S/C22H14FNO3S/c23-15-9-7-14(8-10-15)20(25)13-27-22(26)17-12-19(21-6-3-11-28-21)24-18-5-2-1-4-16(17)18/h1-12H,13H2

InChI Key

MCBLHLZVHPDMOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03274190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.42

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

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.71

Polar Surface Area

43.421

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5585-1735 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5585-1735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5585-1735?
Check Price and Availability of 5585-1735, 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 5585-1735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5585-1735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5585-1735
  • 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 5585-1735 available by request