2248-4802 Screening compound: 5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

2248-4802 Screening compound: 5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2248-4802 Screening compound: 5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2248-4802
5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-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

2248-4802

Molecular Formula

C12H6N2O4 (C12 H6 N2 O4)

Compound Name

5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

7-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

[O-][N+](c1cc2cccc(C(NC3=O)=O)c2c3c1)=O

InChI

InChI=1S/C12H6N2O4/c15-11-8-3-1-2-6-4-7(14(17)18)5-9(10(6)8)12(16)13-11/h1-5H,(H,13,15,16)

InChI Key

CWVQFVQNUBOYEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00607443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.19

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

1.309

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.77

Polar Surface Area

71.748

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2248-4802 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2248-4802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2248-4802?
Check Price and Availability of 2248-4802, 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 2248-4802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2248-4802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2248-4802
  • 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 2248-4802 available by request