Y032-0987 Screening compound: (E)-N-methyl-3-(3-nitrophenyl)-N-phenyl-2-propenamide

Y032-0987 Screening compound: (E)-N-methyl-3-(3-nitrophenyl)-N-phenyl-2-propenamide
Y032-0987 Screening compound: (E)-N-methyl-3-(3-nitrophenyl)-N-phenyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0987
(E)-N-methyl-3-(3-nitrophenyl)-N-phenyl-2-propenamide

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

Y032-0987

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

(E)-N-methyl-3-(3-nitrophenyl)-N-phenyl-2-propenamide

IUPAC name

(2E)-N-methyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide

SMILES

CN(C(/C=C/c1cccc([N+]([O-])=O)c1)=O)c1ccccc1

InChI

InChI=1S/C16H14N2O3/c1-17(14-7-3-2-4-8-14)16(19)11-10-13-6-5-9-15(12-13)18(20)21/h2-12H,1H3

InChI Key

UCTYMEYCTHKFJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.40

Polar Surface Area

48.462

Acid Dissociation Constant (pKa)

30.83

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y032-0987 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 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 Y032-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0987?
Check Price and Availability of Y032-0987, 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 Y032-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0987
  • 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 Y032-0987 available by request