MCULE-1668774950-0
- 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 | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-1668774950-0.sdf |
| SMILES | MCULE-1668774950-0.smiles |
| Standard InChI | MCULE-1668774950-0.inchi |
| InChIKey | MCULE-1668774950-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852084222 | 95 | As is | by synthesis |
| P-889913866 | N/A | As is | by synthesis |
| P-851466827 | N/A | As is | by synthesis |
| P-870064077 | 90 | As is | 1000 mg |
| P-901350264 | 95 | As is | by synthesis |
| P-590828978 | 95 | As is | by synthesis |
| P-4141430 | 90 | As is | 100 mg |
| P-619933156 | 90 | As is | by synthesis |
| P-436451817 | 95 | As is | in stock |
| P-34851282 | 90 | As is | in stock |
| P-861525970 | 95 | As is | by synthesis |
| P-580424958 | 95 | As is | by resynthesis (? - ? days) |
| P-488553858 | 90 | As is | in stock |
| P-12866345 | 95 | As is | 244 mg |
| P-596594711 | 90 | As is | 1000 mg |
| P-613277776 | 95 | As is | by synthesis |
| P-852386259 | N/A | As is | in stock |
| P-864071411 | 95 | As is | by synthesis |
| P-454374402 | 92 | As is | in stock |
| P-23796556 | 92 | As is | 244 mg |
| P-885529408 | 95 | As is | by synthesis |
| P-23893767 | 90 | As is | in stock |
| P-502334221 | 90 | As is | in stock |
| P-33580065 | 94 | As is | by resynthesis (? - ? days) |
| P-464683472 | 90 | As is | 1000 mg |
| P-1409147 | 90 | As is | 1000 mg |
| P-886935878 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.207 |
| logP | 1.2644 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 90.46 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.345 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| 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 |

