MCULE-6408980158-0
- 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 | 68 USD | 90 | 22 working days | Get Quote |
| 5 mg | 83 USD | 90 | 22 working days | Get Quote |
| 10 mg | 86 USD | N/A | 17 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-9693478947-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6408980158-0.sdf |
| SMILES | MCULE-6408980158-0.smiles |
| Standard InChI | MCULE-6408980158-0.inchi |
| InChIKey | MCULE-6408980158-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886665478 | 95 | As is | in stock |
| P-889968155 | N/A | As is | by synthesis |
| P-869293713 | 95 | As is | in stock |
| P-903231215 | 95 | As is | 1000 mg |
| P-851640279 | N/A | As is | by synthesis |
| P-611149044 | 95 | As is | by synthesis |
| P-861390189 | 95 | As is | by synthesis |
| P-895481021 | 95 | As is | by synthesis |
| P-611476385 | 90 | As is | in stock |
| P-893814672 | 95 | As is | by synthesis |
| P-867591513 | 95 | Main component | in stock |
| P-875750723 | N/A | Main component | in stock |
| P-590358769 | 95 | Main component | in stock |
| P-903081093 | 91 | Main component | 2.5 g |
| P-851882702 | N/A | Main component | by synthesis |
| P-596474382 | 90 | Main component | 3 mg |
| P-596519099 | 90 | Main component | 3 mg |
| P-889816067 | 95 | Main component | by synthesis |
| P-591128646 | 91 | Main component | by synthesis |
| P-492271164 | 95 | Main component | in stock |
| P-872447392 | 90 | Main component | 50 mg |
| P-861390377 | 95 | Main component | by synthesis |
| P-855946659 | 95 | Main component | 5 g |
| P-852385314 | N/A | Main component | in stock |
| P-869013644 | 95 | Main component | by synthesis |
| P-873237480 | 90 | Main component | in stock |
| P-23150936 | 94 | Main component | by resynthesis (? - ? days) |
| P-611581697 | 90 | Main component | in stock |
| P-893664372 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 219.682 |
| logP | 3.0069 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.0797 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |

