0800-0852 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

0800-0852 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
0800-0852 Screening compound: (2E)-N-(4-ethoxy-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0852
(2E)-N-(4-ethoxy-2-nitrophenyl)-3-(4-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

0800-0852

Molecular Formula

C17H15N3O6 (C17 H15 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C17H15N3O6/c1-2-26-14-8-9-15(16(11-14)20(24)25)18-17(21)10-5-12-3-6-13(7-4-12)19(22)23/h3-11H,2H2,1H3,(H,18,21)

InChI Key

FPQVQOYBCHARGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00987862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.37

Polar Surface Area

96.004

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0800-0852 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0800-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0852?
Check Price and Availability of 0800-0852, 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 0800-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0852
  • 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 0800-0852 available by request