8004-3448 Screening compound: 5,8-dinitro-2-(2-pyridyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of ChemDiv screening compound 8004-3448
5,8-dinitro-2-(2-pyridyl)-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
8004-3448
Molecular Formula
C17H8N4O6 (C17 H8 N4 O6)
Compound Name
5,8-dinitro-2-(2-pyridyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
IUPAC name
711-dinitro-3-(pyridin-2-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione
SMILES
[O-][N+](c1cc(C(N(c2ncccc2)C2=O)=O)c3c2cc([N+]([O-])=O)cc3c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
364.27
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.271
Distribution Coefficient, logD
2.271
Water Solubility, LogSw
-2.98
Polar Surface Area
103.517
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
-0.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8004-3448 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8004-3448 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)