G845-0079 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound G845-0079
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
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
G845-0079
Molecular Formula
C19H17F3N4O3S2 (C19 H17 F3 N4 O3 S2)
Compound Name
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
IUPAC name
2-(213-benzothiadiazole-4-sulfonyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
SMILES
O=C(CS(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
470.5
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.030
Distribution Coefficient, logD
3.030
Water Solubility, LogSw
-3.33
Polar Surface Area
69.609
Acid Dissociation Constant (pKa)
15.54
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
G845-0079 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with G845-0079 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)