MCULE-7515478512
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 33 USD | 95 | 14 working days | Get Quote |
5 mg | 33 USD | 95 | 14 working days | Get Quote |
10 mg | 39 USD | 95 | 37 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-7515478512.sdf |
SMILES | MCULE-7515478512.smiles |
Standard InChI | MCULE-7515478512.inchi |
InChIKey | MCULE-7515478512.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869326744 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-675239769 | Allbio Pharm | In stock | N/A | As is | in stock |
P-869395720 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-861343370 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889441109 | FluoroChem | General BB | N/A | As is | in stock |
P-890851139 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855914401 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-579626716 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-854691054 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-888871928 | PharmaBlock | In stock | N/A | As is | in stock |
P-889881282 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888654053 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869158189 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611364206 | Toronto Research | In stock | 90 | As is | in stock |
P-615410894 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 747.828 |
logP | 5.23 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 66.76 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 117.3938 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 8 |
Heteroatoms | 8 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |