0483-0001 Screening compound: 4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl benzoate

0483-0001 Screening compound: 4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl benzoate
0483-0001 Screening compound: 4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0483-0001
4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl benzoate

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

0483-0001

Molecular Formula

C21H12O5 (C21 H12 O5)

Compound Name

4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl benzoate

IUPAC name

4-hydroxy-910-dioxo-910-dihydroanthracen-1-yl benzoate

SMILES

Oc(c(C(c1c2cccc1)=O)c1C2=O)ccc1OC(c1ccccc1)=O

InChI

InChI=1S/C21H12O5/c22-15-10-11-16(26-21(25)12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H

InChI Key

CKTKNUCNKAXLJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.33

Polar Surface Area

63.193

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0483-0001 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 0483-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0483-0001?
Check Price and Availability of 0483-0001, 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 0483-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0483-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0483-0001
  • 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 0483-0001 available by request