0365-0058 Screening compound: 1-nitro-4-(2-phenylethynyl)benzene

0365-0058 Screening compound: 1-nitro-4-(2-phenylethynyl)benzene
0365-0058 Screening compound: 1-nitro-4-(2-phenylethynyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0365-0058
1-nitro-4-(2-phenylethynyl)benzene

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

0365-0058

Molecular Formula

C14H9NO2 (C14 H9 NO2)

Compound Name

1-nitro-4-(2-phenylethynyl)benzene

IUPAC name

1-nitro-4-(2-phenylethynyl)benzene

SMILES

[O-][N+](c(cc1)ccc1C#Cc1ccccc1)=O

InChI

InChI=1S/C14H9NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H

InChI Key

JWCIMYGAABSRQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.81

Polar Surface Area

33.348

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0365-0058 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0365-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0365-0058?
Check Price and Availability of 0365-0058, 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 0365-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0365-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0365-0058
  • 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 0365-0058 available by request