8009-3032 Screening compound: 2-(2,3,5,6-tetrafluoro-4-pyridyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Chemical Structure Depiction of ChemDiv screening compound 8009-3032
2-(2,3,5,6-tetrafluoro-4-pyridyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
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
8009-3032
Molecular Formula
C12H4F4N2O3S (C12 H4 F4 N2 O3 S)
Compound Name
2-(2,3,5,6-tetrafluoro-4-pyridyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
IUPAC name
2-(2356-tetrafluoropyridin-4-yl)-23-dihydro-1lambda62-benzothiazole-113-trione
SMILES
O=C(c1c2cccc1)N(c(c(F)c(nc1F)F)c1F)S2(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
332.24
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.387
Distribution Coefficient, logD
2.387
Water Solubility, LogSw
-2.80
Polar Surface Area
58.285
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
-11.38
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8009-3032 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Proteases Annotated Library (2868 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 8009-3032 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)