MCULE-3050735338-0
- 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 | 39 USD | 95 | 7 working days | Get Quote |
| 5 mg | 90 USD | 95 | 7 working days | Get Quote |
| 10 mg | 149 USD | 95 | 7 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-3050735338-0.sdf |
| SMILES | MCULE-3050735338-0.smiles |
| Standard InChI | MCULE-3050735338-0.inchi |
| InChIKey | MCULE-3050735338-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867692230 | N/A | As is | in stock |
| P-875871912 | N/A | As is | in stock |
| P-874632327 | N/A | As is | by resynthesis (? - ? days) |
| P-903344942 | 98 | As is | 300 mg |
| P-904320295 | 90 | As is | 6.726 g |
| P-1270324755 | 98 | As is | in stock |
| P-1263079610 | N/A | As is | in stock |
| P-895108367 | 98 | As is | 100 mg |
| P-1273256379 | 95 | As is | by resynthesis (? - ? days) |
| P-905463189 | 95 | As is | in stock |
| P-901449167 | 95 | As is | by synthesis |
| P-887191189 | 95 | As is | by synthesis |
| P-873245934 | 97 | As is | 5 mg |
| P-854717125 | 95 | As is | in stock |
| P-896070959 | 95 | As is | in stock |
| P-888169968 | 98 | As is | by synthesis |
| P-904245600 | 95 | As is | unavailable |
| P-869118650 | 95 | As is | 178 mg |
| P-888633693 | 95 | As is | 178 mg |
| P-1271589174 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 391.318 |
| logP | 4.3297 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 75.11 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 90.4192 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

