MCULE-6471887459
- 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 | 33 USD | 95 | 22 working days | Get Quote |
| 5 mg | 38 USD | 95 | 22 working days | Get Quote |
| 10 mg | 72 USD | 95 | 22 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-6471887459.sdf |
| SMILES | MCULE-6471887459.smiles |
| Standard InChI | MCULE-6471887459.inchi |
| InChIKey | MCULE-6471887459.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623959 | 95 | As is | in stock |
| P-875786643 | N/A | As is | in stock |
| P-590358172 | 95 | As is | in stock |
| P-903135954 | 98 | As is | 1.25 g |
| P-893610337 | 90 | As is | 1.049 g |
| P-606945767 | N/A | As is | in stock |
| P-596964975 | 95 | As is | 1.25 g |
| P-872726141 | 98 | As is | in stock |
| P-596649968 | 95 | As is | by resynthesis (? - ? days) |
| P-864174345 | 95 | As is | in stock |
| P-868544159 | 100 | As is | in stock |
| P-580451479 | 98 | As is | in stock |
| P-861380604 | 95 | As is | by synthesis |
| P-580406021 | 95 | As is | by resynthesis (? - ? days) |
| P-870660357 | N/A | As is | in stock |
| P-596582856 | 97 | As is | 10 mg |
| P-852469174 | N/A | As is | in stock |
| P-35185627 | 97 | As is | 388 g |
| P-1263154663 | 95 | As is | by synthesis |
| P-854718134 | 95 | As is | in stock |
| P-584625428 | 95 | As is | in stock |
| P-608274536 | 98 | As is | in stock |
| P-491318571 | 95 | As is | by synthesis |
| P-869126902 | 95 | As is | by synthesis |
| P-892291133 | 95 | As is | unavailable |
| P-888640135 | 95 | As is | 100 mg |
| P-611491776 | 90 | As is | in stock |
| P-893935448 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.363 |
| logP | 7.1697 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 67.16 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 98.487 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |

