P970-1329 Screening compound: (2-chloro-4-fluorophenyl)-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]methanesulfonamide
Chemical Structure Depiction of ChemDiv screening compound P970-1329
(2-chloro-4-fluorophenyl)-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]methanesulfonamide
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
P970-1329
Molecular Formula
C15H21ClFNO3S (C15 H21 ClFNO3 S)
Compound Name
(2-chloro-4-fluorophenyl)-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]methanesulfonamide
IUPAC name
1-(2-chloro-4-fluorophenyl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]methanesulfonamide
SMILES
CC1(CN(C)S(Cc(ccc(F)c2)c2Cl)(=O)=O)CCOCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
349.85
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.057
Distribution Coefficient, logD
3.057
Water Solubility, LogSw
-3.41
Polar Surface Area
40.798
Acid Dissociation Constant (pKa)
19.83
Base Dissociation Constant (pKb)
-6.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
60.00
P970-1329 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with P970-1329 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)