0559-0417 Screening compound: 1,8-diazoniatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-1,8-diolate
Chemical Structure Depiction of ChemDiv screening compound 0559-0417
1,8-diazoniatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-1,8-diolate
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
0559-0417
Molecular Formula
C10H12N2O2 (C10 H12 N2 O2)
Compound Name
1,8-diazoniatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene-1,8-diolate
IUPAC name
18-diazatricyclo[6.2.2.0^{27}]dodeca-2(7)35-triene-18-diium-18-bis(olate)
SMILES
[O-][N+](CC1)(CC2)c(cccc3)c3[N+]12[O-]
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
192.22
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
0.720
Distribution Coefficient, logD
0.720
Water Solubility, LogSw
-1.13
Polar Surface Area
31.860
Acid Dissociation Constant (pKa)
27.55
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
0559-0417 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Agro
References: we are preparing a list of scientific research reports with 0559-0417 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)