3993-1664 Screening compound: 4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine

3993-1664 Screening compound: 4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine
3993-1664 Screening compound: 4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-1664
4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine

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

3993-1664

Molecular Formula

C15H15NO2 (C15 H15 NO2)

Compound Name

4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine

IUPAC name

4-[(1E)-2-(34-dimethoxyphenyl)ethenyl]pyridine

SMILES

COc(ccc(/C=C/c1ccncc1)c1)c1OC

InChI

InChI=1S/C15H15NO2/c1-17-14-6-5-13(11-15(14)18-2)4-3-12-7-9-16-10-8-12/h3-11H,1-2H3

InChI Key

KMWDDWVXVLCLMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-2.88

Polar Surface Area

24.656

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3993-1664 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3993-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-1664?
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What is the minimum amount of 3993-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-1664
  • 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 3993-1664 available by request