1091-0052 Screening compound: 5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

1091-0052 Screening compound: 5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
1091-0052 Screening compound: 5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1091-0052
5-nitro-2,3-dihydro-1H-isoindole-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

1091-0052

Molecular Formula

C8H4N2O4 (C8 H4 N2 O4)

Compound Name

5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(C(N2)=O)c1C2=O)=O

InChI

InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)

InChI Key

ANYWGXDASKQYAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.782

Distribution Coefficient, logD

0.134

Water Solubility, LogSw

-2.48

Polar Surface Area

72.385

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1091-0052 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1091-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1091-0052?
Check Price and Availability of 1091-0052, 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 1091-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1091-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1091-0052
  • 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 1091-0052 available by request