0090-0077 Screening compound: (2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide

0090-0077 Screening compound: (2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide
0090-0077 Screening compound: (2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0090-0077
(2E)-N-(3-methylphenyl)-3-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

0090-0077

Molecular Formula

C16H15NO (C16 H15 NO)

Compound Name

(2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide

SMILES

Cc1cccc(NC(/C=C/c2ccccc2)=O)c1

InChI

InChI=1S/C16H15NO/c1-13-6-5-9-15(12-13)17-16(18)11-10-14-7-3-2-4-8-14/h2-12H,1H3,(H,17,18)

InChI Key

DCZZGCCJBFBLOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.16

Polar Surface Area

23.116

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0090-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0090-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0090-0077?
Check Price and Availability of 0090-0077, 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 0090-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0090-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0090-0077
  • 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 0090-0077 available by request