M334-0115 Screening compound: 5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Chemical Structure Depiction of ChemDiv screening compound M334-0115
5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-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
M334-0115
Molecular Formula
C26H27N5O3 (C26 H27 N5 O3)
Compound Name
5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC name
5-(5-methyl-124-oxadiazol-3-yl)-3-[2-oxo-2-(4-phenyl-1236-tetrahydropyridin-1-yl)ethyl]-1-(propan-2-yl)-23-dihydro-1H-13-benzodiazol-2-one
SMILES
CC(C)N(c(ccc(-c1noc(C)n1)c1)c1N1CC(N(CC2)CC=C2c2ccccc2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
457.53
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.439
Distribution Coefficient, logD
4.439
Water Solubility, LogSw
-4.41
Polar Surface Area
64.867
Acid Dissociation Constant (pKa)
20.15
Base Dissociation Constant (pKb)
-1.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
M334-0115 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
Hsp90-Targeted Library (11355 compounds)
PI3K-Targeted Library (17255 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Kinases
- GPCR
- Kinases
- Kinases
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with M334-0115 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)