MCULE-8515026595
- 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 | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 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-8515026595.sdf |
| SMILES | MCULE-8515026595.smiles |
| Standard InChI | MCULE-8515026595.inchi |
| InChIKey | MCULE-8515026595.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582542 | 97 | As is | in stock |
| P-875741386 | 97 | As is | in stock |
| P-1275156775 | 95 | As is | in stock |
| P-1275161271 | 98 | As is | in stock |
| P-903072205 | 97 | As is | 900 g |
| P-866099059 | 95 | As is | 13.8 g |
| P-1270273423 | 97 | As is | in stock |
| P-606886651 | N/A | As is | in stock |
| P-489156440 | 97 | As is | in stock |
| P-596953123 | 97 | As is | 200 g |
| P-589660782 | 95 | As is | by resynthesis (? - ? days) |
| P-864194127 | 95 | As is | in stock |
| P-481174916 | 95 | As is | 10 g |
| P-590637170 | 97 | As is | 2.2 g |
| P-893234041 | 95 | As is | in stock |
| P-9909064 | 90 | As is | 1 mg |
| P-34864282 | 90 | As is | in stock |
| P-851265092 | 95 | As is | by synthesis |
| P-868601046 | 97 | As is | in stock |
| P-861981875 | 97 | As is | 293 g |
| P-870656589 | N/A | As is | in stock |
| P-893292973 | 90 | As is | 1.215 g |
| P-18797798 | 90 | As is | 1.215 g |
| P-14426696 | 90 | As is | 68 mg |
| P-860794060 | N/A | As is | by synthesis |
| P-1272584114 | 97 | As is | 25 g |
| P-852454232 | 97 | As is | by synthesis |
| P-863709009 | 95 | As is | in stock |
| P-12909381 | 90 | As is | 105 mg |
| P-889885533 | 95 | As is | by synthesis |
| P-12585049 | 90 | As is | 814 mg |
| P-1274331793 | 95 | As is | unavailable |
| P-1274340361 | 95 | As is | 991 mg |
| P-1274352263 | 95 | As is | 991 mg |
| P-502364121 | 90 | As is | in stock |
| P-888432927 | 94 | As is | by resynthesis (? - ? days) |
| P-906766251 | 97 | As is | by synthesis |
| P-611473931 | 90 | As is | in stock |
| P-1271720849 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.173 |
| logP | 1.1068 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 29.54 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.162 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

