MCULE-3852314849
- 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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 36 USD | 98 | 20 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-3852314849.sdf |
| SMILES | MCULE-3852314849.smiles |
| Standard InChI | MCULE-3852314849.inchi |
| InChIKey | MCULE-3852314849.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648799 | 98 | As is | in stock |
| P-875816939 | N/A | As is | in stock |
| P-595216024 | 98 | As is | in stock |
| P-903179935 | 98 | As is | 300 mg |
| P-610959309 | 90 | As is | 34.242 g |
| P-606832749 | N/A | As is | in stock |
| P-489148672 | 97 | As is | in stock |
| P-489204132 | 97 | As is | in stock |
| P-596970593 | 98 | As is | 300 mg |
| P-872725002 | 98 | As is | in stock |
| P-896023252 | 95 | As is | in stock |
| P-868544778 | 99 | As is | in stock |
| P-584629806 | 99 | As is | 334 mg |
| P-901469930 | 95 | As is | by synthesis |
| P-6563658 | 90 | As is | 666 mg |
| P-578191631 | 90 | As is | in stock |
| P-851249303 | 95 | As is | by synthesis |
| P-860798969 | 98 | As is | in stock |
| P-861488590 | 95 | As is | by synthesis |
| P-579479394 | 95 | As is | in stock |
| P-868079366 | 95 | As is | in stock |
| P-596561867 | 97 | As is | 10 mg |
| P-852523086 | N/A | As is | in stock |
| P-854716446 | 95 | As is | in stock |
| P-474025994 | 95 | As is | in stock |
| P-608277884 | 98 | As is | in stock |
| P-869123510 | 95 | As is | by synthesis |
| P-892290126 | 95 | As is | unavailable |
| P-888637569 | 95 | As is | 10 mg |
| P-903903477 | 94 | As is | by resynthesis (? - ? days) |
| P-906803582 | 98 | As is | by synthesis |
| P-893888271 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 438.477 |
| logP | 4.2492 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 74.1 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 131.7597 |
| Atoms | 55 |
| Rings | 6 |
| Heavy atoms | 33 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |

