2805-0031 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)acetate

2805-0031 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)acetate
2805-0031 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2805-0031
2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)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

2805-0031

Molecular Formula

C19H14BrNO3S (C19 H14 BrNO3 S)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)acetate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-(quinolin-8-ylsulfanyl)acetate

SMILES

O=C(COC(CSc1cccc2cccnc12)=O)c(cc1)ccc1Br

InChI

InChI=1S/C19H14BrNO3S/c20-15-8-6-13(7-9-15)16(22)11-24-18(23)12-25-17-5-1-3-14-4-2-10-21-19(14)17/h1-10H,11-12H2

InChI Key

RNDQMMHEPVDQDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00375764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-3.94

Polar Surface Area

43.281

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2805-0031 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2805-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2805-0031?
Check Price and Availability of 2805-0031, 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 2805-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2805-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2805-0031
  • 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 2805-0031 available by request