MCULE-8331435195
- 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 | 30 USD | 98 | 20 working days | Get Quote |
5 mg | 30 USD | 98 | 20 working days | Get Quote |
10 mg | 30 USD | 98 | 20 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.
-
1
MCULE-3058542009
- Component type: Main
-
1
MCULE-5889111640
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8331435195.sdf |
SMILES | MCULE-8331435195.smiles |
Standard InChI | MCULE-8331435195.inchi |
InChIKey | MCULE-8331435195.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611398565 | Toronto Research | In stock | 90 | As is | in stock |
P-867636616 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
P-874624633 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-865921174 | Angene | Building Blocks in stock | 98 | Main component | 500 mg |
P-889520546 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-580452744 | CliniSciences S.A.S | All products | 98 | Main component | in stock |
P-870652327 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
P-675215910 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-855920135 | Key Organics | Building Blocks | 97 | Main component | 50 mg |
P-888655978 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
P-869160736 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
P-611382207 | Toronto Research | In stock | 90 | Main component | in stock |
P-855133025 | Toronto Research | In stock | 90 | Main component | in stock |
P-886926393 | eNovation Chemicals LLC | Building Block on demand | 97 | Main component | by synthesis |
P-890850404 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-888655980 | TargetMol | Screening Compounds | 95 | Main component as a main component | by synthesis |
P-869160740 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 519.053 |
logP | 4.0479 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 126.61 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 146.1644 |
Atoms | 66 |
Rings | 4 |
Heavy atoms | 35 |
Hydrogen atoms | 31 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |