MCULE-5134337000
- 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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 30 USD | 98 | 16 working days | Get Quote |
| 10 mg | 48 USD | 98 | 16 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-9266152975
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5134337000.sdf |
| SMILES | MCULE-5134337000.smiles |
| Standard InChI | MCULE-5134337000.inchi |
| InChIKey | MCULE-5134337000.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867512448 | N/A | As is | by synthesis |
| P-611464468 | 90 | As is | in stock |
| P-867597019 | 98 | Main component | in stock |
| P-875756177 | N/A | Main component | in stock |
| P-615725782 | 98 | Main component | in stock |
| P-903090575 | 98 | Main component | 3.5 g |
| P-893608717 | 90 | Main component | 2.061 g |
| P-606932578 | N/A | Main component | in stock |
| P-489202559 | 97 | Main component | in stock |
| P-619180067 | 98 | Main component | 750 mg |
| P-864172529 | 95 | Main component | in stock |
| P-580698083 | 98 | Main component | 425 mg |
| P-901415691 | 95 | Main component | by synthesis |
| P-878236269 | 95 | Main component | by synthesis |
| P-861505959 | 95 | Main component | by synthesis |
| P-855914436 | 97 | Main component | 250 mg |
| P-579674005 | 95 | Main component | by resynthesis (? - ? days) |
| P-852426214 | N/A | Main component | in stock |
| P-896628403 | 95 | Main component | by synthesis |
| P-854721765 | 95 | Main component | in stock |
| P-904369106 | 95 | Main component | in stock |
| P-878645466 | 98 | Main component | in stock |
| P-889866340 | 95 | Main component | by synthesis |
| P-869162954 | 95 | Main component | by synthesis |
| P-892298797 | 95 | Main component | unavailable |
| P-888658410 | 95 | Main component | 45 mg |
| P-855134679 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 340.283 |
| logP | 4.9837 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 12.47 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 95.769 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

