MCULE-9201172948
- 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-9201172948.sdf |
| SMILES | MCULE-9201172948.smiles |
| Standard InChI | MCULE-9201172948.inchi |
| InChIKey | MCULE-9201172948.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872826916 | 98 | As is | in stock |
| P-875733431 | N/A | As is | in stock |
| P-903063127 | 98 | As is | 500 g |
| P-489180921 | 97 | As is | in stock |
| P-596983207 | 98 | As is | 600 g |
| P-866727122 | 95 | As is | 45 g |
| P-864170061 | 98 | As is | in stock |
| P-901452369 | 95 | As is | by synthesis |
| P-580429341 | 95 | As is | by resynthesis (? - ? days) |
| P-905323650 | 98 | As is | 5 g |
| P-505503602 | 95 | As is | in stock |
| P-893357041 | N/A | As is | in stock |
| P-596564905 | 97 | As is | 25 g |
| P-31250842 | 90 | As is | unavailable |
| P-500383601 | 95 | As is | by synthesis |
| P-885547597 | 95 | As is | by synthesis |
| P-906756169 | 98 | As is | by synthesis |
| P-855359695 | 90 | As is | in stock |
| P-480188914 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.300 |
| logP | 2.5462 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 77.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.232 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 0 |
| 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 |

