0176-0033 Screening compound: 1,2-dihydroacenaphthylene-1,2-dione

0176-0033 Screening compound: 1,2-dihydroacenaphthylene-1,2-dione
0176-0033 Screening compound: 1,2-dihydroacenaphthylene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0176-0033
1,2-dihydroacenaphthylene-1,2-dione

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

0176-0033

Molecular Formula

C12H6O2 (C12 H6 O2)

Compound Name

1,2-dihydroacenaphthylene-1,2-dione

IUPAC name

12-dihydroacenaphthylene-12-dione

SMILES

O=C(c1c(c2ccc3)c3ccc1)C2=O

InChI

InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H

InChI Key

AFPRJLBZLPBTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00003805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.84

Polar Surface Area

26.546

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0176-0033 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0176-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0176-0033?
Check Price and Availability of 0176-0033, 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 0176-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0176-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0176-0033
  • 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 0176-0033 available by request