0077-0019 Screening compound: (2E)-N,3-bis(3-nitrophenyl)prop-2-enamide

0077-0019 Screening compound: (2E)-N,3-bis(3-nitrophenyl)prop-2-enamide
0077-0019 Screening compound: (2E)-N,3-bis(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0077-0019
(2E)-N,3-bis(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

0077-0019

Molecular Formula

C15H11N3O5 (C15 H11 N3 O5)

Compound Name

(2E)-N,3-bis(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N3-bis(3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1cccc(/C=C/C(Nc2cccc([N+]([O-])=O)c2)=O)c1)=O

InChI

InChI=1S/C15H11N3O5/c19-15(16-12-4-2-6-14(10-12)18(22)23)8-7-11-3-1-5-13(9-11)17(20)21/h1-10H,(H,16,19)

InChI Key

WHLHYPJABCQWBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00399784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.04

Polar Surface Area

89.879

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0077-0019 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 0077-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0077-0019?
Check Price and Availability of 0077-0019, 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 0077-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0077-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0077-0019
  • 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 0077-0019 available by request