MCULE-7461567431
- 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 | 48 USD | 98 | 12 working days | Get Quote |
5 mg | 48 USD | 98 | 12 working days | Get Quote |
10 mg | 48 USD | 98 | 12 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-8677230473
- Component type: Main
-
2
MCULE-5932450224
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7461567431.sdf |
SMILES | MCULE-7461567431.smiles |
Standard InChI | MCULE-7461567431.inchi |
InChIKey | MCULE-7461567431.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-870660715 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-893109689 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-893137383 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-892858872 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
P-890150933 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-892189230 | Angene | Building Blocks in stock | N/A | Main component | 100 mg |
P-861285841 | Chiralstar | Chiralstar Building Blocks | 95 | Main component | in stock |
P-894007997 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
P-867397305 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-872726858 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
P-872724943 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
P-870661480 | Glentham Life Sciences | Compounds typically in stock | 95 | Main component as a main component | in stock |
P-890848986 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-890849232 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-890849717 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-890849747 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-855910277 | Key Organics | Building Blocks | 95 | Main component as a main component | 500 mg |
P-650817540 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 583.362 |
logP | -0.1714 |
H-bond acceptors | 18 |
H-bond donors | 5 |
Rotatable bonds | 8 |
PSA | 314.22 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 92.3401 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 33 |
Hydrogen atoms | 14 |
Heteroatoms | 23 |
N/O atoms | 18 |
Inorganic atoms | 2 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |