MCULE-5451280477
- 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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 USD | 98 | 22 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-5451280477.sdf |
| SMILES | MCULE-5451280477.smiles |
| Standard InChI | MCULE-5451280477.inchi |
| InChIKey | MCULE-5451280477.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558389 | 98 | As is | in stock |
| P-875717654 | N/A | As is | in stock |
| P-590390863 | 98 | As is | in stock |
| P-903045884 | 98 | As is | 75 g |
| P-893505971 | 90 | As is | 218.012 g |
| P-907307316 | 95 | As is | 18.5 g |
| P-893333550 | 95 | As is | by synthesis |
| P-606853913 | N/A | As is | in stock |
| P-489173554 | 97 | As is | in stock |
| P-596944200 | 98 | As is | 150 g |
| P-494328720 | 95 | As is | by resynthesis (? - ? days) |
| P-864109619 | 95 | As is | in stock |
| P-580695727 | 98 | As is | 41.35 g |
| P-893254481 | 95 | As is | by synthesis |
| P-504734116 | 85 | As is | 5 mg |
| P-454723587 | 90 | As is | in stock |
| P-436470012 | 95 | As is | 10 g |
| P-851245243 | 95 | As is | by synthesis |
| P-868622245 | 98 | As is | in stock |
| P-34525774 | 90 | As is | in stock |
| P-580777321 | 90 | As is | by resynthesis (? - ? days) |
| P-580766636 | 90 | As is | in stock |
| P-580403408 | 95 | As is | by resynthesis (? - ? days) |
| P-579719502 | N/A | As is | by resynthesis (? - ? days) |
| P-861950756 | 95 | As is | 85.311 g |
| P-905331382 | 95 | As is | 25 g |
| P-505529115 | 95 | As is | in stock |
| P-524181354 | 98 | As is | 10 g |
| P-615646830 | 95 | As is | in stock |
| P-608097615 | 97 | As is | 10 g |
| P-580511152 | 95 | As is | 15 g |
| P-852393800 | N/A | As is | in stock |
| P-519751197 | 90 | As is | 74.9 g |
| P-854734562 | 95 | As is | in stock |
| P-500392688 | 98 | As is | by synthesis |
| P-491129456 | 95 | As is | by synthesis |
| P-596762481 | 98 | As is | 87.6 g |
| P-502339820 | 90 | As is | in stock |
| P-22517790 | 90 | As is | 1000 mg |
| P-906768973 | 98 | As is | by synthesis |
| P-611438996 | 90 | As is | in stock |
| P-893936691 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 124.141 |
| logP | 0.541 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 34.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.8425 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| 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 |

