MCULE-5931303971-0
- 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 | 90 | 14 working days | Get Quote |
| 5 mg | 29 USD | 90 | 14 working days | Get Quote |
| 10 mg | 29 USD | 95 | 10 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-5931303971-0.sdf |
| SMILES | MCULE-5931303971-0.smiles |
| Standard InChI | MCULE-5931303971-0.inchi |
| InChIKey | MCULE-5931303971-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576861 | 99 | As is | in stock |
| P-590373578 | 99 | As is | in stock |
| P-907316155 | 95 | As is | by synthesis |
| P-904028587 | N/A | As is | by synthesis |
| P-851609333 | N/A | As is | by synthesis |
| P-866729255 | 95 | As is | 5 g |
| P-896035196 | 95 | As is | by synthesis |
| P-893229410 | 95 | As is | in stock |
| P-504714095 | 85 | As is | 5 mg |
| P-454626394 | 90 | As is | in stock |
| P-607694747 | 90 | As is | 55.395 g |
| P-436453928 | 95 | As is | 44 g |
| P-34817030 | 90 | As is | by synthesis |
| P-870657657 | N/A | As is | in stock |
| P-502476001 | 95 | As is | by synthesis |
| P-454311453 | 97 | As is | 14.919 g |
| P-454398498 | 97 | As is | 25 g |
| P-856043052 | 90 | As is | 2 g |
| P-31179629 | 90 | As is | 2 g |
| P-860794982 | N/A | As is | by synthesis |
| P-579723790 | 90 | As is | in stock |
| P-888164353 | 90 | As is | in stock |
| P-23829498 | 90 | As is | in stock |
| P-22802661 | 90 | As is | in stock |
| P-502366092 | 90 | As is | in stock |
| P-906868736 | 97 | As is | by synthesis |
| P-611459566 | 90 | As is | in stock |
| P-855242403 | 90 | As is | in stock |
| P-1188205 | 90 | As is | 29 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.210 |
| logP | 2.1831 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.4108 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

