P970-0298 Screening compound: 3-fluoro-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound P970-0298
3-fluoro-N-[(oxan-4-yl)methyl]benzene-1-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
P970-0298
Molecular Formula
C12H16FNO3S (C12 H16 FNO3 S)
Compound Name
3-fluoro-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide
IUPAC name
3-fluoro-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide
SMILES
O=S(c1cc(F)ccc1)(NCC1CCOCC1)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
273.33
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.192
Distribution Coefficient, logD
2.192
Water Solubility, LogSw
-2.55
Polar Surface Area
50.097
Acid Dissociation Constant (pKa)
11.65
Base Dissociation Constant (pKb)
-4.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
P970-0298 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with P970-0298 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)