F818-0396 Screening compound: N-(2,5-difluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound F818-0396
N-(2,5-difluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
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
F818-0396
Molecular Formula
C14H10F2N2O3S2 (C14 H10 F2 N2 O3 S2)
Compound Name
N-(2,5-difluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
IUPAC name
N-(25-difluorophenyl)-3-methyl-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide
SMILES
CN(c(ccc(S(Nc(cc(cc1)F)c1F)(=O)=O)c1)c1S1)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
356.37
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.381
Distribution Coefficient, logD
1.882
Water Solubility, LogSw
-4.02
Polar Surface Area
55.800
Acid Dissociation Constant (pKa)
5.92
Base Dissociation Constant (pKb)
-4.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.10
F818-0396 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
NOTUM (Wnt signaling) Library (3881 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Immune system
- Cancer
- Agro
References: we are preparing a list of scientific research reports with F818-0396 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)