MCULE-7077849504
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 20 USD | 90 | 21 working days | Get Quote |
| 10 mg | 20 USD | 90 | 21 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-7077849504.sdf |
| SMILES | MCULE-7077849504.smiles |
| Standard InChI | MCULE-7077849504.inchi |
| InChIKey | MCULE-7077849504.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630073 | 95 | As is | in stock |
| P-875793444 | N/A | As is | in stock |
| P-590360243 | 95 | As is | in stock |
| P-903145835 | 95 | As is | 5 g |
| P-851567136 | N/A | As is | by synthesis |
| P-489211046 | 97 | As is | in stock |
| P-596493832 | 90 | As is | 1000 mg |
| P-596424567 | 90 | As is | 1000 mg |
| P-901348940 | 95 | As is | by synthesis |
| P-590908332 | 95 | As is | by synthesis |
| P-492250687 | 95 | As is | in stock |
| P-6517685 | 90 | As is | 100 mg |
| P-454624242 | 90 | As is | in stock |
| P-4440833 | 90 | As is | 665 mg |
| P-436449640 | 95 | As is | 77 g |
| P-19866616 | 90 | As is | in stock |
| P-868649889 | 98 | As is | in stock |
| P-580425622 | 95 | As is | by resynthesis (? - ? days) |
| P-579799387 | 90 | As is | in stock |
| P-864497848 | 90 | As is | in stock |
| P-428624355 | 90 | As is | in stock |
| P-864498147 | 90 | As is | in stock |
| P-904200704 | 95 | As is | 6.67 g |
| P-579483023 | 90 | As is | 1.763 g |
| P-890203570 | 90 | As is | 1.763 g |
| P-502452347 | 95 | As is | by synthesis |
| P-502971475 | 90 | As is | in stock |
| P-492224262 | 95 | As is | in stock |
| P-488546967 | 90 | As is | in stock |
| P-13531027 | 95 | As is | 300 mg |
| P-454361834 | 90 | As is | 100 mg |
| P-14235059 | 90 | As is | 48 mg |
| P-588255464 | N/A | As is | by synthesis |
| P-852382886 | N/A | As is | in stock |
| P-854791983 | 95 | As is | by synthesis |
| P-617685581 | 95 | As is | 6.67 g |
| P-12392552 | 90 | As is | 6.67 g |
| P-454366732 | 92 | As is | in stock |
| P-23810447 | 92 | As is | 300 mg |
| P-856063425 | 95 | As is | in stock |
| P-424808308 | 90 | As is | in stock |
| P-23299038 | 90 | As is | in stock |
| P-502357014 | 90 | As is | in stock |
| P-888430088 | 94 | As is | by resynthesis (? - ? days) |
| P-611486681 | 90 | As is | in stock |
| P-3244915 | 90 | As is | 6.023 g |
| P-392063 | 90 | As is | 6.023 g |
| P-3224217 | 90 | As is | 6.023 g |
| P-893678127 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.235 |
| logP | 1.1977 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 66.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.3548 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

