0095-0333 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene-1,3-dione

0095-0333 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene-1,3-dione
0095-0333 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0095-0333
2-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene-1,3-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

0095-0333

Molecular Formula

C25H15NO6 (C25 H15 NO6)

Compound Name

2-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(13-dioxo-23-dihydro-1H-inden-2-yl)(3-nitrophenyl)methyl]-23-dihydro-1H-indene-13-dione

SMILES

[O-][N+](c1cc(C(C(C(c2c3cccc2)=O)C3=O)C(C(c2c3cccc2)=O)C3=O)ccc1)=O

InChI

InChI=1S/C25H15NO6/c27-22-15-8-1-2-9-16(15)23(28)20(22)19(13-6-5-7-14(12-13)26(31)32)21-24(29)17-10-3-4-11-18(17)25(21)30/h1-12,19-21H

InChI Key

WMQRPQPIISHDCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00337407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

-2.551

Water Solubility, LogSw

-4.27

Polar Surface Area

86.236

Acid Dissociation Constant (pKa)

0.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

0095-0333 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0095-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0095-0333?
Check Price and Availability of 0095-0333, 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 0095-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0095-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0095-0333
  • 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 0095-0333 available by request