8018-3759 Screening compound: 3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline

8018-3759 Screening compound: 3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline
8018-3759 Screening compound: 3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3759
3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline

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

8018-3759

Molecular Formula

C13H12N2 (C13 H12 N2)

Compound Name

3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline

IUPAC name

3-[(1E)-2-(pyridin-4-yl)ethenyl]aniline

SMILES

Nc1cccc(/C=C/c2ccncc2)c1

InChI

InChI=1S/C13H12N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-10H,14H2

InChI Key

PUIXZBUXAZDNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.04

Polar Surface Area

30.201

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-3759 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8018-3759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3759?
Check Price and Availability of 8018-3759, 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 8018-3759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3759
  • 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 8018-3759 available by request