P940-4093 Screening compound: 3-(1-benzoylpiperidin-3-yl)-4-benzyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Chemical Structure Depiction of ChemDiv screening compound P940-4093
3-(1-benzoylpiperidin-3-yl)-4-benzyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
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
P940-4093
Molecular Formula
C22H24N4O2 (C22 H24 N4 O2)
Compound Name
3-(1-benzoylpiperidin-3-yl)-4-benzyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
IUPAC name
3-(1-benzoylpiperidin-3-yl)-4-benzyl-1-methyl-45-dihydro-1H-124-triazol-5-one
SMILES
CN1N=C(C(CCC2)CN2C(c2ccccc2)=O)N(Cc2ccccc2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.241
Distribution Coefficient, logD
3.241
Water Solubility, LogSw
-3.21
Polar Surface Area
48.678
Acid Dissociation Constant (pKa)
21.36
Base Dissociation Constant (pKb)
-3.87
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.82
P940-4093 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P940-4093 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)