G857-0265 Screening compound: 3-(benzylsulfanyl)-7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of ChemDiv screening compound G857-0265
3-(benzylsulfanyl)-7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-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
G857-0265
Molecular Formula
C14H11FN2O2S2 (C14 H11 FN2 O2 S2)
Compound Name
3-(benzylsulfanyl)-7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
IUPAC name
3-(benzylsulfanyl)-7-fluoro-4H-1lambda624-benzothiadiazine-11-dione
SMILES
O=S(c(cc(cc1)F)c1N1)(N=C1SCc1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
322.38
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.736
Distribution Coefficient, logD
1.944
Water Solubility, LogSw
-3.24
Polar Surface Area
52.706
Acid Dissociation Constant (pKa)
6.68
Base Dissociation Constant (pKb)
0.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.10
G857-0265 in Drug Discovery
Included in Screening Libraries
NOTUM (Wnt signaling) Library (3881 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Immune system
- Kinases
References: we are preparing a list of scientific research reports with G857-0265 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)