MCULE-1050165136-0
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 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-1050165136-0.sdf |
| SMILES | MCULE-1050165136-0.smiles |
| Standard InChI | MCULE-1050165136-0.inchi |
| InChIKey | MCULE-1050165136-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852120203 | 95 | As is | by synthesis |
| P-889946301 | N/A | As is | by synthesis |
| P-904530275 | 95 | As is | in stock |
| P-851519876 | N/A | As is | by synthesis |
| P-596367006 | 90 | As is | 140 mg |
| P-889510159 | 95 | As is | by synthesis |
| P-590785781 | 95 | As is | by synthesis |
| P-5107241 | 90 | As is | 25 mg |
| P-893361348 | 90 | As is | 1000 mg |
| P-577155451 | 90 | As is | in stock |
| P-619340797 | 90 | As is | 2.395 g |
| P-436463478 | 95 | As is | in stock |
| P-861530195 | 95 | As is | by synthesis |
| P-34531438 | 90 | As is | by synthesis |
| P-502462560 | 95 | As is | by synthesis |
| P-503061850 | 90 | As is | by synthesis |
| P-502658867 | 90 | As is | in stock |
| P-492228671 | 95 | As is | in stock |
| P-855974735 | 95 | As is | 1000 mg |
| P-14215963 | 90 | As is | 152 mg |
| P-852433997 | N/A | As is | in stock |
| P-895540402 | 95 | As is | by synthesis |
| P-13039041 | 90 | As is | 83 mg |
| P-491181524 | 95 | As is | by synthesis |
| P-18874497 | 90 | As is | in stock |
| P-896208900 | 90 | As is | 15 mg |
| P-502331207 | 90 | As is | in stock |
| P-888358618 | 94 | As is | by resynthesis (? - ? days) |
| P-873038083 | 90 | As is | 5 mg |
| P-572174 | 90 | As is | 270 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.133 |
| logP | 2.8435 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 69.1785 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

