MCULE-9503820619
- 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 | 7 USD | N/A | 14 working days | Get Quote |
5 mg | 9 USD | 98 | 16 working days | Get Quote |
10 mg | 13 USD | 98 | 16 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-9503820619.sdf |
SMILES | MCULE-9503820619.smiles |
Standard InChI | MCULE-9503820619.inchi |
InChIKey | MCULE-9503820619.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612448 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875773089 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590361333 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606847948 | AmBeed | In stock | N/A | As is | in stock |
P-865914873 | Angene | Building Blocks in stock | 98 | As is | 4.323 g |
P-889559906 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-868544534 | Axon Medchem | Axon predominantly SC catalog | 100 | As is | in stock |
P-580722120 | BLD pharm | In-stock building blocks | 98 | As is | 4.323 g |
P-851278689 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798794 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861367670 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579480815 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-855923350 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-852558829 | Matrix Scientific | All | N/A | As is | in stock |
P-854715886 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474024909 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608269791 | Molnova | Stock | 98 | As is | in stock |
P-856070787 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 700 mg |
P-579712418 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888641527 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869129072 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 455.717 |
logP | 4.5166 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 78.27 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 113.1147 |
Atoms | 46 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 17 |
Heteroatoms | 10 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |