MCULE-8002401359
- 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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-8002401359.sdf |
| SMILES | MCULE-8002401359.smiles |
| Standard InChI | MCULE-8002401359.inchi |
| InChIKey | MCULE-8002401359.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886556870 | 96 | As is | in stock |
| P-901258458 | 96 | As is | in stock |
| P-1275197315 | 96 | As is | in stock |
| P-903068505 | 98 | As is | 25 g |
| P-893550631 | 90 | As is | 8.689 g |
| P-901165213 | 98 | As is | in stock |
| P-1270360354 | 96 | As is | in stock |
| P-617044944 | 95 | As is | by resynthesis (? - ? days) |
| P-851951069 | N/A | As is | in stock |
| P-489133640 | 97 | As is | in stock |
| P-597010093 | 98 | As is | 5 g |
| P-895924657 | 95 | As is | by resynthesis (? - ? days) |
| P-864150787 | 95 | As is | in stock |
| P-616206141 | 96 | As is | 250 mg |
| P-893250669 | 95 | As is | by synthesis |
| P-454728755 | 90 | As is | in stock |
| P-436472250 | 95 | As is | in stock |
| P-851271076 | 95 | As is | by synthesis |
| P-868632722 | 96 | As is | in stock |
| P-580405470 | 95 | As is | by resynthesis (? - ? days) |
| P-905342647 | 98 | As is | 2 g |
| P-862019051 | 98 | As is | 1.689 g |
| P-855976897 | 98 | As is | 5 g |
| P-31144267 | 90 | As is | unavailable |
| P-1272586436 | 95 | As is | 1000 mg |
| P-852461607 | 95 | As is | by synthesis |
| P-1267010121 | 95 | As is | in stock |
| P-500384269 | 98 | As is | by synthesis |
| P-889869880 | 95 | As is | by synthesis |
| P-1274336708 | 95 | As is | unavailable |
| P-1274348599 | 95 | As is | 239 mg |
| P-1274358981 | 95 | As is | 239 mg |
| P-502328803 | 90 | As is | in stock |
| P-855080177 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.264 |
| logP | 4.6506 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.7824 |
| Atoms | 28 |
| Rings | 4 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

