S051-0086 Screening compound: 1-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of ChemDiv screening compound S051-0086
1-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-4-phenylbutan-1-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
S051-0086
Molecular Formula
C22H23N3O3 (C22 H23 N3 O3)
Compound Name
1-{3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-4-phenylbutan-1-one
IUPAC name
1-{3-[3-(3-methyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}-4-phenylbutan-1-one
SMILES
Cc1noc(-c2cccc(OC(C3)CN3C(CCCc3ccccc3)=O)c2)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
377.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.648
Distribution Coefficient, logD
3.648
Water Solubility, LogSw
-3.91
Polar Surface Area
54.109
Acid Dissociation Constant (pKa)
21.89
Base Dissociation Constant (pKb)
0.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.80
S051-0086 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Peptidomimetic Library (37031 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Eye
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- Epigenetic
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S051-0086 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)