MCULE-3927136716
- 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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 35 USD | 98 | 16 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-3927136716.sdf |
| SMILES | MCULE-3927136716.smiles |
| Standard InChI | MCULE-3927136716.inchi |
| InChIKey | MCULE-3927136716.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555695 | 98 | As is | in stock |
| P-875714502 | N/A | As is | in stock |
| P-869182522 | 95 | As is | in stock |
| P-505403784 | 98 | As is | in stock |
| P-903042072 | 98 | As is | 750 mg |
| P-893472472 | 90 | As is | 3.982 g |
| P-606931860 | N/A | As is | in stock |
| P-489220050 | 97 | As is | in stock |
| P-489167468 | 97 | As is | in stock |
| P-596943272 | 98 | As is | 3 g |
| P-580192532 | 98 | As is | in stock |
| P-864125657 | 95 | As is | in stock |
| P-860056304 | 98 | As is | by synthesis |
| P-868544704 | 99 | As is | in stock |
| P-580719268 | 98 | As is | 1.791 g |
| P-871222146 | N/A | As is | by resynthesis (? - ? days) |
| P-893232747 | 95 | As is | in stock |
| P-851249288 | 95 | As is | by synthesis |
| P-860798706 | 98 | As is | in stock |
| P-861491834 | 95 | As is | by synthesis |
| P-579479072 | 95 | As is | in stock |
| P-675213717 | 95 | As is | in stock |
| P-524440020 | 97 | As is | 77 mg |
| P-579628657 | 95 | As is | unavailable |
| P-852523076 | N/A | As is | in stock |
| P-854718097 | 95 | As is | in stock |
| P-474024571 | 95 | As is | in stock |
| P-619671932 | 98 | As is | in stock |
| P-491319310 | 95 | As is | by synthesis |
| P-579712884 | N/A | As is | in stock |
| P-869132268 | 95 | As is | by synthesis |
| P-892292055 | 95 | As is | unavailable |
| P-888643036 | 95 | As is | 195 mg |
| P-575295679 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 326.175 |
| logP | 2.9193 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 117.95 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 72.6441 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

