MCULE-7070512861
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-7070512861.sdf |
| SMILES | MCULE-7070512861.smiles |
| Standard InChI | MCULE-7070512861.inchi |
| InChIKey | MCULE-7070512861.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563889 | 98 | As is | in stock |
| P-875723472 | N/A | As is | in stock |
| P-505394501 | 98 | As is | in stock |
| P-903052617 | 98 | As is | 200 g |
| P-606928047 | N/A | As is | in stock |
| P-596982677 | 98 | As is | 25 g |
| P-901329027 | 98 | As is | in stock |
| P-895928460 | 95 | As is | by resynthesis (? - ? days) |
| P-889574904 | 95 | As is | in stock |
| P-860054680 | 99 | As is | by synthesis |
| P-868955453 | 97 | As is | 1.25 g |
| P-893225025 | 95 | As is | in stock |
| P-4319724 | 90 | As is | 5 mg |
| P-10561820 | 90 | As is | 95 mg |
| P-888179357 | 90 | As is | in stock |
| P-19887673 | 90 | As is | in stock |
| P-868619360 | 95 | As is | in stock |
| P-34523633 | 90 | As is | by synthesis |
| P-608496101 | 95 | As is | in stock |
| P-580444532 | 95 | As is | by resynthesis (? - ? days) |
| P-870655936 | N/A | As is | in stock |
| P-505509041 | 95 | As is | in stock |
| P-12743513 | 95 | As is | 117 mg |
| P-524166662 | 98 | As is | 100 mg |
| P-852460634 | N/A | As is | in stock |
| P-896627096 | 95 | As is | by synthesis |
| P-854717537 | 95 | As is | in stock |
| P-608272827 | 98 | As is | in stock |
| P-500377293 | 95 | As is | by synthesis |
| P-885533689 | 95 | As is | by synthesis |
| P-18853544 | 90 | As is | in stock |
| P-617401852 | N/A | As is | in stock |
| P-869149454 | 95 | As is | by synthesis |
| P-892293282 | 95 | As is | 999 mg |
| P-888650155 | 95 | As is | 999 mg |
| P-22817675 | 90 | As is | in stock |
| P-888434198 | 94 | As is | by resynthesis (? - ? days) |
| P-906901056 | 98 | As is | in stock |
| P-611481870 | 90 | As is | in stock |
| P-463777 | 90 | As is | 258 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 368.835 |
| logP | 4.1405 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 106.87 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 91.2286 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 17 |
| 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 |

