0632-0895 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-9,10-dihydroanthracene-9,10-dione

0632-0895 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-9,10-dihydroanthracene-9,10-dione
0632-0895 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0632-0895
2-(1H-1,3-benzodiazol-2-yl)-9,10-dihydroanthracene-9,10-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

0632-0895

Molecular Formula

C21H12N2O2 (C21 H12 N2 O2)

Compound Name

2-(1H-1,3-benzodiazol-2-yl)-9,10-dihydroanthracene-9,10-dione

IUPAC name

2-(1H-13-benzodiazol-2-yl)-910-dihydroanthracene-910-dione

SMILES

O=C(c1c2cccc1)c(ccc(-c1nc(cccc3)c3[nH]1)c1)c1C2=O

InChI

InChI=1S/C21H12N2O2/c24-19-13-5-1-2-6-14(13)20(25)16-11-12(9-10-15(16)19)21-22-17-7-3-4-8-18(17)23-21/h1-11H,(H,22,23)

InChI Key

GRLIYAUADXHFGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.97

Polar Surface Area

45.200

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0632-0895 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 0632-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0632-0895?
Check Price and Availability of 0632-0895, 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 0632-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0632-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0632-0895
  • 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 0632-0895 available by request