MCULE-5322388227
- 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 | 5 USD | 96 | 14 working days | Get Quote |
| 5 mg | 5 USD | 96 | 14 working days | Get Quote |
| 10 mg | 5 USD | 96 | 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-5322388227.sdf |
| SMILES | MCULE-5322388227.smiles |
| Standard InChI | MCULE-5322388227.inchi |
| InChIKey | MCULE-5322388227.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875719271 | N/A | As is | in stock |
| P-869339248 | 98 | As is | in stock |
| P-903047902 | 96 | As is | 2 kg |
| P-901167561 | 98 | As is | in stock |
| P-606941716 | N/A | As is | in stock |
| P-489239546 | 97 | As is | in stock |
| P-865906959 | 96 | As is | 2 kg |
| P-895923241 | 95 | As is | by resynthesis (? - ? days) |
| P-864200789 | 95 | As is | in stock |
| P-616205443 | 99 | As is | 3.167 kg |
| P-893251618 | 95 | As is | by synthesis |
| P-868618158 | 98 | As is | in stock |
| P-905358938 | 95 | As is | 625 g |
| P-855983550 | 95 | As is | 25 g |
| P-905476353 | 95 | As is | unavailable |
| P-904073588 | 95 | As is | in stock |
| P-885537304 | 95 | As is | by synthesis |
| P-904225538 | 95 | As is | by synthesis |
| P-904253614 | 95 | As is | unavailable |
| P-904241131 | 95 | As is | 4.991 g |
| P-906769755 | 98 | As is | by synthesis |
| P-611523238 | 90 | As is | in stock |
| P-667018474 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.317 |
| logP | 3.8478 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.5698 |
| Atoms | 38 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 24 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

