MCULE-4319471315
- 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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 52 USD | 98 | 22 working days | Get Quote |
| 10 mg | 79 USD | 98 | 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.
-
1
MCULE-6036808070
- Component type: Main
-
2
MCULE-5852208511
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4319471315.sdf |
| SMILES | MCULE-4319471315.smiles |
| Standard InChI | MCULE-4319471315.inchi |
| InChIKey | MCULE-4319471315.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852189890 | N/A | As is | by synthesis |
| P-901199408 | N/A | As is | by synthesis |
| P-901414896 | 95 | As is | in stock |
| P-872829053 | 98 | Main component | in stock |
| P-875778381 | N/A | Main component | in stock |
| P-903122131 | 95 | Main component | 1000 mg |
| P-610959313 | 90 | Main component | 2.516 g |
| P-892189484 | 95 | Main component | 200 mg |
| P-1263775261 | 95 | Main component | by synthesis |
| P-900268867 | N/A | Main component | by resynthesis (? - ? days) |
| P-887185018 | 95 | Main component | by synthesis |
| P-873246234 | 97 | Main component | 50 mg |
| P-1263157540 | 95 | Main component | by synthesis |
| P-865621232 | 95 | Main component | in stock |
| P-892256795 | 95 | Main component | by synthesis |
| P-904251430 | 95 | Main component | unavailable |
| P-892340423 | 95 | Main component | 936 mg |
| P-893744955 | 95 | Main component | by synthesis |
| P-903115785 | 98 | Main component as a main component | 200 mg |
| P-887182927 | 95 | Main component as a main component | by synthesis |
| P-1263157541 | 95 | Main component as a main component | by synthesis |
| P-865621233 | 95 | Main component as a main component | in stock |
| P-871076616 | 95 | Main component as a main component | in stock |
| P-888173563 | 98 | Main component as a main component | by synthesis |
| P-1263956069 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 667.795 |
| logP | 2.7928 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 249.98 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 181.7248 |
| Atoms | 86 |
| Rings | 4 |
| Heavy atoms | 45 |
| Hydrogen atoms | 41 |
| Heteroatoms | 15 |
| N/O atoms | 13 |
| 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 |

