MCULE-3016881493
- 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 | 10 USD | 95 | 20 working days | Get Quote |
| 5 mg | 10 USD | 95 | 20 working days | Get Quote |
| 10 mg | 10 USD | 95 | 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-3016881493.sdf |
| SMILES | MCULE-3016881493.smiles |
| Standard InChI | MCULE-3016881493.inchi |
| InChIKey | MCULE-3016881493.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588642 | 98 | As is | in stock |
| P-875747371 | N/A | As is | in stock |
| P-597018404 | 95 | As is | in stock |
| P-590362264 | 95 | As is | in stock |
| P-903078538 | 95 | As is | 100 g |
| P-893550740 | 90 | As is | 306.644 g |
| P-901164509 | 95 | As is | in stock |
| P-606833623 | N/A | As is | in stock |
| P-597008381 | 95 | As is | 100 g |
| P-866727084 | 95 | As is | 250 g |
| P-864085676 | 97 | As is | in stock |
| P-616202609 | 98 | As is | 41 g |
| P-893251247 | 95 | As is | by synthesis |
| P-619928831 | 90 | As is | by synthesis |
| P-607694652 | 90 | As is | 17 mg |
| P-436459257 | 95 | As is | 30 g |
| P-868642025 | 98 | As is | in stock |
| P-34778652 | 90 | As is | by synthesis |
| P-580775544 | 90 | As is | by resynthesis (? - ? days) |
| P-899881281 | 90 | As is | in stock |
| P-580443420 | 95 | As is | by resynthesis (? - ? days) |
| P-905329287 | 97 | As is | 10 g |
| P-675217418 | 95 | As is | in stock |
| P-502502792 | 95 | As is | by synthesis |
| P-503472889 | 90 | As is | by synthesis |
| P-502762376 | 90 | As is | in stock |
| P-492227547 | 95 | As is | in stock |
| P-488549431 | 90 | As is | in stock |
| P-427901656 | 92 | As is | 300 mg |
| P-18797227 | 95 | As is | 23.522 g |
| P-454379197 | 95 | As is | 23.522 g |
| P-31138869 | 90 | As is | unavailable |
| P-852431138 | N/A | As is | in stock |
| P-35290887 | 90 | As is | 54 g |
| P-855397713 | 95 | As is | in stock |
| P-579723349 | 90 | As is | in stock |
| P-888163994 | 90 | As is | in stock |
| P-492283136 | 95 | As is | 3.42 g |
| P-12805163 | 90 | As is | 3.42 g |
| P-454371647 | 92 | As is | in stock |
| P-445291805 | 92 | As is | 300 mg |
| P-500378850 | 97 | As is | by synthesis |
| P-491223237 | 95 | As is | by synthesis |
| P-18844589 | 90 | As is | in stock |
| P-22784895 | 90 | As is | in stock |
| P-502369503 | 90 | As is | in stock |
| P-907275574 | 94 | As is | by resynthesis (? - ? days) |
| P-611365793 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 252.064 |
| logP | 1.9435 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.71 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

