MCULE-4121747543
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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-4121747543.sdf |
| SMILES | MCULE-4121747543.smiles |
| Standard InChI | MCULE-4121747543.inchi |
| InChIKey | MCULE-4121747543.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875798441 | N/A | As is | in stock |
| P-590402268 | 95 | As is | in stock |
| P-903154034 | 95 | As is | 50 mg |
| P-851473567 | N/A | As is | by synthesis |
| P-865920657 | 95 | As is | 1000 mg |
| P-552038991 | 95 | As is | by resynthesis (? - ? days) |
| P-896055558 | 95 | As is | by synthesis |
| P-901445122 | 95 | As is | by synthesis |
| P-868646839 | 95 | As is | in stock |
| P-500235783 | N/A | As is | in stock |
| P-504263422 | 90 | As is | by synthesis |
| P-855938967 | 95 | As is | 5 g |
| P-856016192 | 90 | As is | 500 mg |
| P-611666265 | N/A | As is | by synthesis |
| P-852384427 | N/A | As is | in stock |
| P-519750050 | 97 | As is | 18.6 g |
| P-35207061 | 97 | As is | 18.6 kg |
| P-854832953 | 95 | As is | by synthesis |
| P-12390662 | 90 | As is | 8.988 g |
| P-492274263 | 99 | As is | 8.988 g |
| P-19170942 | 90 | As is | in stock |
| P-474053157 | 97 | As is | in stock |
| P-535714649 | N/A | As is | in stock |
| P-502331275 | 90 | As is | in stock |
| P-33713683 | 94 | As is | by resynthesis (? - ? days) |
| P-611399852 | 90 | As is | in stock |
| P-3238475 | 90 | As is | 115 mg |
| P-893805 | 90 | As is | 115 mg |
| P-886893743 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.220 |
| logP | 1.5053 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 72.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 58.8923 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

