P970-2502 Screening compound: 2-chloro-6-fluoro-N-methyl-N-[(oxan-4-yl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound P970-2502
2-chloro-6-fluoro-N-methyl-N-[(oxan-4-yl)methyl]benzamide
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
P970-2502
Molecular Formula
C14H17ClFNO2 (C14 H17 ClFNO2)
Compound Name
2-chloro-6-fluoro-N-methyl-N-[(oxan-4-yl)methyl]benzamide
IUPAC name
2-chloro-6-fluoro-N-methyl-N-[(oxan-4-yl)methyl]benzamide
SMILES
CN(CC1CCOCC1)C(c(c(F)ccc1)c1Cl)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
285.75
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.386
Distribution Coefficient, logD
2.386
Water Solubility, LogSw
-3.27
Polar Surface Area
24.490
Acid Dissociation Constant (pKa)
26.16
Base Dissociation Constant (pKb)
-2.30
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
P970-2502 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
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)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with P970-2502 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)