MCULE-1701649963
- 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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 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.
-
MCULE-9249139476
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1701649963.sdf |
| SMILES | MCULE-1701649963.smiles |
| Standard InChI | MCULE-1701649963.inchi |
| InChIKey | MCULE-1701649963.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564385 | 97 | As is | in stock |
| P-875723745 | N/A | As is | in stock |
| P-535627339 | 97 | As is | in stock |
| P-505347879 | 99 | As is | in stock |
| P-903052953 | 95 | As is | 4.5 kg |
| P-905481274 | 98 | As is | 100 g |
| P-606856249 | N/A | As is | in stock |
| P-489157183 | 97 | As is | in stock |
| P-596928580 | 95 | As is | 13 kg |
| P-589653559 | 95 | As is | 614 g |
| P-864184306 | 95 | As is | in stock |
| P-901144787 | 95 | As is | 21 g |
| P-580722550 | 97 | As is | 1.72 kg |
| P-454640410 | 90 | As is | in stock |
| P-619825634 | 90 | As is | 91.295 g |
| P-868576580 | 98 | As is | in stock |
| P-580272911 | 95 | As is | by resynthesis (? - ? days) |
| P-862015008 | 97 | As is | 22.4997 kg |
| P-905339941 | 97 | As is | 125 g |
| P-494299657 | 98 | As is | in stock |
| P-870662958 | 98 | As is | in stock |
| P-505492902 | 95 | As is | in stock |
| P-488545815 | 90 | As is | in stock |
| P-12717542 | 95 | As is | 241 mg |
| P-454300348 | 95 | As is | 100 mg |
| P-454392513 | 95 | As is | 1000 g |
| P-31138820 | 90 | As is | unavailable |
| P-31129482 | 90 | As is | 1000 mg |
| P-856042159 | 90 | As is | 1000 mg |
| P-613282116 | 95 | As is | by synthesis |
| P-852494965 | N/A | As is | in stock |
| P-428093067 | 90 | As is | 13.049 kg |
| P-1263155611 | 95 | As is | by synthesis |
| P-26434903 | 90 | As is | 3 g |
| P-617693273 | 90 | As is | 3 g |
| P-454365951 | 92 | As is | in stock |
| P-23801790 | 92 | As is | 241 mg |
| P-500404281 | 98 | As is | by synthesis |
| P-885549751 | 95 | As is | by synthesis |
| P-19090042 | 90 | As is | in stock |
| P-22824104 | 90 | As is | in stock |
| P-502331767 | 90 | As is | in stock |
| P-906767488 | 98 | As is | by synthesis |
| P-611498093 | 90 | As is | in stock |
| P-611495333 | 90 | As is | in stock |
| P-675126012 | 90 | As a main component | in stock |
| P-617794039 | 90 | As a main component | 187 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.201 |
| logP | 0.9902 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 118.84 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 31.5654 |
| Atoms | 10 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

