MCULE-8909890518-0
- 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 | 96 USD | 95 | 37 working days | Get Quote |
5 mg | 209 USD | 95 | 37 working days | Get Quote |
10 mg | 335 USD | 95 | 14 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-8909890518-0.sdf |
SMILES | MCULE-8909890518-0.smiles |
Standard InChI | MCULE-8909890518-0.inchi |
InChIKey | MCULE-8909890518-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612903147 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-875773049 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894643815 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-881622263 | AmBeed | On request | N/A | As is | by synthesis |
P-865914867 | Angene | Building Blocks in stock | N/A | As is | 10 mg |
P-872724909 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889498090 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590862393 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-860798866 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861382076 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-873251526 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-873251527 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-873251528 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854721303 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-885540048 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869110369 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888628665 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-868520164 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 596.744 |
logP | 5.1586 |
H-bond acceptors | 9 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 127.81 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 179.9369 |
Atoms | 79 |
Rings | 6 |
Heavy atoms | 43 |
Hydrogen atoms | 36 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |