1513-0694 Screening compound: ethyl 2-(quinolin-2-ylsulfanyl)acetate

1513-0694 Screening compound: ethyl 2-(quinolin-2-ylsulfanyl)acetate
1513-0694 Screening compound: ethyl 2-(quinolin-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1513-0694
ethyl 2-(quinolin-2-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

1513-0694

Molecular Formula

C13H13NO2S (C13 H13 NO2 S)

Compound Name

ethyl 2-(quinolin-2-ylsulfanyl)acetate

IUPAC name

ethyl 2-(quinolin-2-ylsulfanyl)acetate

SMILES

CCOC(CSc1nc2ccccc2cc1)=O

InChI

InChI=1S/C13H13NO2S/c1-2-16-13(15)9-17-12-8-7-10-5-3-4-6-11(10)14-12/h3-8H,2,9H2,1H3

InChI Key

AIHOCXBKNMJTLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00435345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.52

Polar Surface Area

28.089

Acid Dissociation Constant (pKa)

20.78

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1513-0694 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1513-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1513-0694?
Check Price and Availability of 1513-0694, 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 1513-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1513-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1513-0694
  • 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 1513-0694 available by request