MCULE-2725234741
- 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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 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-2725234741.sdf |
| SMILES | MCULE-2725234741.smiles |
| Standard InChI | MCULE-2725234741.inchi |
| InChIKey | MCULE-2725234741.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578309 | 95 | As is | in stock |
| P-875737689 | 95 | As is | in stock |
| P-590389630 | 97 | As is | by resynthesis (? - ? days) |
| P-903067627 | 97 | As is | 30 g |
| P-893485823 | 90 | As is | 140.829 g |
| P-1270330270 | 97 | As is | in stock |
| P-606871954 | N/A | As is | in stock |
| P-489203180 | 97 | As is | in stock |
| P-596951673 | 98 | As is | 20 g |
| P-1273453405 | 95 | As is | by resynthesis (? - ? days) |
| P-895934093 | 95 | As is | by resynthesis (? - ? days) |
| P-864145729 | 95 | As is | in stock |
| P-1272605717 | 95 | As is | 3.5 g |
| P-580732813 | 97 | As is | 5.5 g |
| P-452653699 | 98 | As is | in stock |
| P-868605405 | 97 | As is | in stock |
| P-905346448 | 98 | As is | 22 g |
| P-502455668 | 95 | As is | by synthesis |
| P-492225549 | 95 | As is | in stock |
| P-488544749 | 90 | As is | in stock |
| P-14008989 | 92 | As is | 300 mg |
| P-524196244 | 97 | As is | 1000 mg |
| P-1267084373 | 95 | As is | 9.95 g |
| P-601055791 | 90 | As is | 3.844 g |
| P-14063811 | 95 | As is | 3.844 g |
| P-1272596206 | 95 | As is | 10 g |
| P-852509360 | 95 | As is | by synthesis |
| P-854691329 | 95 | As is | in stock |
| P-904063942 | 95 | As is | by synthesis |
| P-878641634 | 98 | As is | in stock |
| P-617703551 | 95 | As is | 112 mg |
| P-26525871 | 90 | As is | 112 mg |
| P-888886831 | N/A | As is | in stock |
| P-454365071 | 92 | As is | in stock |
| P-445330879 | 92 | As is | 300 mg |
| P-491071051 | 95 | As is | by synthesis |
| P-424830182 | 90 | As is | in stock |
| P-617402162 | 98 | As is | in stock |
| P-869176721 | 95 | As is | in stock |
| P-892293964 | 95 | As is | unavailable |
| P-892247123 | 95 | As is | 100 mg |
| P-892333711 | 95 | As is | 100 mg |
| P-23344410 | 90 | As is | in stock |
| P-502372747 | 90 | As is | in stock |
| P-611373045 | 90 | As is | in stock |
| P-2714932 | 90 | As is | 198 mg |
| P-1271634786 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.173 |
| logP | 1.115 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.8398 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

