MCULE-1800953425
- 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 | 39 USD | 95 | 18 working days | Get Quote |
5 mg | 39 USD | 95 | 18 working days | Get Quote |
10 mg | 76 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.
-
MCULE-4692783408
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1800953425.sdf |
SMILES | MCULE-1800953425.smiles |
Standard InChI | MCULE-1800953425.inchi |
InChIKey | MCULE-1800953425.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-890166506 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869289538 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489149642 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-619165683 | Angene | Building Blocks in stock | 98 | As is | unavailable |
P-889447654 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-861491946 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-505508703 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-855914890 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-860789249 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-871072433 | MedKoo | In stock compounds | 95 | As is | in stock |
P-881187900 | Otava | In-House Stock Library | 90 | As is | 60 mg |
P-424851331 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611493141 | Toronto Research | In stock | 90 | As is | in stock |
P-855051925 | Toronto Research | In stock | 90 | As is | in stock |
P-852187909 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
P-889921289 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869181480 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-505352220 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-615722682 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-865917535 | Angene | Building Blocks in stock | 98 | As a main component | 20 mg |
P-861431523 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-505521092 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-505518460 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-524163055 | Key Organics | Building Blocks | 98 | As a main component | 5 mg |
P-852464882 | Matrix Scientific | All | N/A | As a main component | in stock |
P-864055734 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-881189684 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
P-881187899 | Otava | In-House Stock Library | 90 | As a main component | 120 mg |
P-611461701 | Toronto Research | In stock | 90 | As a main component | in stock |
P-611391727 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 405.434 |
logP | 2.7545 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 70.95 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.3413 |
Atoms | 54 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 25 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |