0083-0031 Screening compound: 3-hydroxy-7H-benzo[de]anthracen-7-one

0083-0031 Screening compound: 3-hydroxy-7H-benzo[de]anthracen-7-one
0083-0031 Screening compound: 3-hydroxy-7H-benzo[de]anthracen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0031
3-hydroxy-7H-benzo[de]anthracen-7-one

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

0083-0031

Molecular Formula

C17H10O2 (C17 H10 O2)

Compound Name

3-hydroxy-7H-benzo[de]anthracen-7-one

IUPAC name

14-hydroxytetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2(7)359(17)101214-octaen-8-one

SMILES

Oc(cc1)c(cccc23)c3c1-c(cccc1)c1C2=O

InChI

InChI=1S/C17H10O2/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9,18H

InChI Key

NWMOJFNQYCKHBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.70

Polar Surface Area

29.310

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0083-0031 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0083-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0031?
Check Price and Availability of 0083-0031, 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 0083-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0031
  • 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 0083-0031 available by request