1682-8447 Screening compound: (2E)-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

1682-8447 Screening compound: (2E)-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
1682-8447 Screening compound: (2E)-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8447
(2E)-N-(4-methylphenyl)-3-(3-nitrophenyl)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

1682-8447

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(/C=C/c1cccc([N+]([O-])=O)c1)=O

InChI

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

InChI Key

AFRDKACFAZSLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.09

Polar Surface Area

56.498

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1682-8447 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1682-8447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8447?
Check Price and Availability of 1682-8447, 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 1682-8447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8447
  • 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 1682-8447 available by request