MCULE-4488548921-0
- 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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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.
-
1
MCULE-1557087031-0
- Component type: Main
-
2
MCULE-5726619687-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4488548921-0.sdf |
| SMILES | MCULE-4488548921-0.smiles |
| Standard InChI | MCULE-4488548921-0.inchi |
| InChIKey | MCULE-4488548921-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875830849 | N/A | As is | in stock |
| P-869195643 | 95 | As is | in stock |
| P-505354327 | 97 | As is | in stock |
| P-505389508 | 98 | As is | in stock |
| P-903205920 | 98 | As is | 300 g |
| P-606856740 | N/A | As is | in stock |
| P-597009720 | 98 | As is | 200 g |
| P-864206081 | 95 | As is | in stock |
| P-868545577 | 98 | As is | in stock |
| P-893235914 | 95 | As is | in stock |
| P-505576063 | 98 | As is | in stock |
| P-868577386 | 97 | As is | in stock |
| P-488547337 | 90 | As is | in stock |
| P-583851073 | 92 | As is | in stock |
| P-596548695 | 97 | As is | 100 mg |
| P-588250853 | N/A | As is | by synthesis |
| P-896630207 | 95 | As is | by synthesis |
| P-854711975 | 95 | As is | in stock |
| P-474026033 | 95 | As is | in stock |
| P-608276350 | 98 | As is | in stock |
| P-454368663 | 92 | As is | in stock |
| P-674506203 | 92 | As is | 300 mg |
| P-500371933 | 98 | As is | by synthesis |
| P-579711782 | N/A | As is | in stock |
| P-869108126 | 95 | As is | by synthesis |
| P-892286797 | 95 | As is | unavailable |
| P-888627166 | 95 | As is | 202 mg |
| P-611420236 | 90 | As is | in stock |
| P-617784652 | 90 | As is | 121 mg |
| P-892939882 | N/A | Main component | by synthesis |
| P-867664446 | 95 | Main component | in stock |
| P-875832825 | N/A | Main component | in stock |
| P-903209038 | 98 | Main component | 20 g |
| P-893449039 | 90 | Main component | 50.833 g |
| P-851925735 | N/A | Main component | in stock |
| P-489172663 | 97 | Main component | in stock |
| P-619181138 | 98 | Main component | 15 g |
| P-864103800 | 95 | Main component | in stock |
| P-619600674 | 95 | Main component | 6.35 g |
| P-893221984 | 95 | Main component | in stock |
| P-868590970 | 98 | Main component | in stock |
| P-861987675 | 95 | Main component | 21.68 g |
| P-870652855 | 95 | Main component | in stock |
| P-505535092 | 95 | Main component | in stock |
| P-563384395 | 95 | Main component | 10 g |
| P-852444406 | N/A | Main component | in stock |
| P-905146319 | 95 | Main component | by synthesis |
| P-874445757 | 95 | Main component | in stock |
| P-904369477 | 95 | Main component | in stock |
| P-889865574 | 95 | Main component | by synthesis |
| P-892254436 | 95 | Main component | by synthesis |
| P-904251193 | 95 | Main component | unavailable |
| P-892339153 | 95 | Main component | 175 mg |
| P-906876568 | 95 | Main component | by synthesis |
| P-611420235 | 90 | Main component | in stock |
| P-480550960 | 95 | Main component | in stock |
| P-904746035 | N/A | Main component as a main component | by synthesis |
| P-905533366 | 92 | Main component as a main component | by synthesis |
| P-861390460 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 455.337 |
| logP | 1.6988 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 6 |
| PSA | 235.31 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 108.0019 |
| Atoms | 56 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

