3473-3517 Screening compound: 7-(3,4-dichlorophenyl)-5,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazol-6-ium-6-olate
Chemical Structure Depiction of ChemDiv screening compound 3473-3517
7-(3,4-dichlorophenyl)-5,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazol-6-ium-6-olate
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
3473-3517
Molecular Formula
C12H7Cl2N5O2 (C12 H7 Cl2 N5 O2)
Compound Name
7-(3,4-dichlorophenyl)-5,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazol-6-ium-6-olate
IUPAC name
11-(34-dichlorophenyl)-4-oxa-35101112-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)259-tetraen-10-ium-10-olate
SMILES
[O-][n+]1c(CCc2nonc2-2)c2nn1-c(cc1)cc(Cl)c1Cl
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.13
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.420
Distribution Coefficient, logD
3.420
Water Solubility, LogSw
-3.51
Polar Surface Area
72.659
Acid Dissociation Constant (pKa)
21.90
Base Dissociation Constant (pKb)
-3.47
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
3473-3517 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Selective Target Activity Profiling Library (14702 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 3473-3517 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)