MCULE-1565981239
- 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 | 37 USD | 95 | 12 working days | Get Quote |
| 5 mg | 37 USD | 95 | 12 working days | Get Quote |
| 10 mg | 62 USD | 95 | 12 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-8459717626
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1565981239.sdf |
| SMILES | MCULE-1565981239.smiles |
| Standard InChI | MCULE-1565981239.inchi |
| InChIKey | MCULE-1565981239.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679721 | 95 | As is | in stock |
| P-875857274 | 95 | As is | in stock |
| P-874655972 | 97 | As is | by resynthesis (? - ? days) |
| P-903310118 | 97 | As is | 600 mg |
| P-1270332221 | 98 | As is | in stock |
| P-873300001 | 97 | As is | 200 mg |
| P-1273405663 | 95 | As is | by resynthesis (? - ? days) |
| P-889786650 | 95 | As is | in stock |
| P-901529904 | 95 | As is | by synthesis |
| P-887323255 | 95 | As is | by synthesis |
| P-1273142971 | 98 | As is | 200 mg |
| P-1273109801 | 97 | As is | 100 mg |
| P-895180828 | 95 | As is | in stock |
| P-871075066 | 95 | As is | in stock |
| P-888169282 | 98 | As is | by synthesis |
| P-888170369 | 98 | As is | by synthesis |
| P-906819123 | 98 | As is | by synthesis |
| P-855066854 | 90 | As is | in stock |
| P-867408244 | 98 | Main component | by synthesis |
| P-1268856692 | N/A | Main component | by synthesis |
| P-903043823 | 98 | Main component | 100 mg |
| P-893453773 | 90 | Main component | 300 mg |
| P-895094257 | 98 | Main component | 100 mg |
| P-1273259950 | 95 | Main component | by resynthesis (? - ? days) |
| P-905470097 | 95 | Main component | in stock |
| P-860799078 | 98 | Main component | in stock |
| P-1272495081 | 95 | Main component | in stock |
| P-596870285 | 95 | Main component | by synthesis |
| P-892291722 | 95 | Main component | unavailable |
| P-892230110 | 95 | Main component | 1.96 g |
| P-892323122 | 95 | Main component | 1.96 g |
| P-855052495 | 90 | Main component | in stock |
| P-1271625083 | 99 | Main component | in stock |
| P-580452039 | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 523.816 |
| logP | 4.8111 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 70.26 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 125.9897 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

