0800-0854 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide

0800-0854 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide
0800-0854 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0854
(2E)-N-(4-ethoxy-2-nitrophenyl)-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

0800-0854

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

(2E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C17H16N2O4/c1-2-23-14-9-10-15(16(12-14)19(21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,20)

InChI Key

HCNBMZCOWFXACF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.32

Polar Surface Area

62.623

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0800-0854 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 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 0800-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0854?
Check Price and Availability of 0800-0854, 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 0800-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0854
  • 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 0800-0854 available by request