3338-1305 Screening compound: (2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one

3338-1305 Screening compound: (2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one
3338-1305 Screening compound: (2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-1305
(2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one

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

3338-1305

Molecular Formula

C16H11NOS (C16 H11 NOS)

Compound Name

(2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-3-(quinolin-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one

SMILES

O=C(/C=C/c1ccnc2ccccc12)c1cccs1

InChI

InChI=1S/C16H11NOS/c18-15(16-6-3-11-19-16)8-7-12-9-10-17-14-5-2-1-4-13(12)14/h1-11H

InChI Key

IGBRRMNMPOTMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.24

Polar Surface Area

22.995

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3338-1305 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3338-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-1305?
Check Price and Availability of 3338-1305, 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 3338-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-1305
  • 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 3338-1305 available by request