8005-0868 Screening compound: (2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide

8005-0868 Screening compound: (2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide
8005-0868 Screening compound: (2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0868
(2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-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

8005-0868

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

(2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide

IUPAC name

(2E)-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide

SMILES

[O-][N+](c1ccc(/C=C/C(NCCc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C17H16N2O3/c20-17(18-13-12-14-4-2-1-3-5-14)11-8-15-6-9-16(10-7-15)19(21)22/h1-11H,12-13H2,(H,18,20)

InChI Key

KYCAMTAUNYQBGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.65

Polar Surface Area

57.661

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8005-0868 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0868?
Check Price and Availability of 8005-0868, 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 8005-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0868
  • 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 8005-0868 available by request