0725-0053 Screening compound: (2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

0725-0053 Screening compound: (2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
0725-0053 Screening compound: (2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0725-0053
(2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

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

0725-0053

Molecular Formula

C17H14N2O2 (C17 H14 N2 O2)

Compound Name

(2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

IUPAC name

(2E)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

SMILES

COc1ccc(/C=C(/C(Nc2ccccc2)=O)\C#N)cc1

InChI

InChI=1S/C17H14N2O2/c1-21-16-9-7-13(8-10-16)11-14(12-18)17(20)19-15-5-3-2-4-6-15/h2-11H,1H3,(H,19,20)

InChI Key

SSDAFVBXRVRMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.69

Polar Surface Area

47.930

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0725-0053 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0725-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0725-0053?
Check Price and Availability of 0725-0053, 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 0725-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0725-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0725-0053
  • 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 0725-0053 available by request