E883-0022 Screening compound: 3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(4-fluorobenzyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound E883-0022
3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(4-fluorobenzyl)propanamide
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
E883-0022
Molecular Formula
C17H16FN3O3S (C17 H16 FN3 O3 S)
Compound Name
3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(4-fluorobenzyl)propanamide
IUPAC name
3-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILES
O=C(CCC(N1)=Nc(cccc2)c2S1(=O)=O)NCc(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.4
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.074
Distribution Coefficient, logD
0.708
Water Solubility, LogSw
-2.30
Polar Surface Area
75.096
Acid Dissociation Constant (pKa)
7.28
Base Dissociation Constant (pKb)
7.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
E883-0022 in Drug Discovery
Included in Screening Libraries
Targeted Diversity Library (40567 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with E883-0022 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)