MCULE-9549471755
- 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 | 85 USD | 95 | 11 working days | Get Quote |
| 5 mg | 85 USD | 95 | 11 working days | Get Quote |
| 10 mg | 85 USD | 95 | 11 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-9549471755.sdf |
| SMILES | MCULE-9549471755.smiles |
| Standard InChI | MCULE-9549471755.inchi |
| InChIKey | MCULE-9549471755.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886611324 | 95 | As is | in stock |
| P-890157697 | N/A | As is | in stock |
| P-590385017 | 95 | As is | in stock |
| P-903149125 | 95 | As is | 1000 mg |
| P-851704266 | N/A | As is | by synthesis |
| P-589661168 | 95 | As is | by resynthesis (? - ? days) |
| P-889817638 | 95 | As is | by synthesis |
| P-591055766 | 95 | As is | by synthesis |
| P-901467024 | 95 | As is | by synthesis |
| P-868646803 | 95 | As is | in stock |
| P-580322429 | 95 | As is | by resynthesis (? - ? days) |
| P-890214559 | 90 | As is | 1000 mg |
| P-590336986 | 90 | As is | 1000 mg |
| P-855938773 | 95 | As is | 1000 mg |
| P-854838608 | 95 | As is | by synthesis |
| P-859992438 | 95 | As is | by synthesis |
| P-611576794 | 90 | As is | in stock |
| P-893826481 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.648 |
| logP | 2.478 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 45.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.2755 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| 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 |

