MCULE-5919577631-0
- 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 | 73 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-5919577631-0.sdf |
| SMILES | MCULE-5919577631-0.smiles |
| Standard InChI | MCULE-5919577631-0.inchi |
| InChIKey | MCULE-5919577631-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852105684 | 95 | As is | by synthesis |
| P-901201555 | N/A | As is | by synthesis |
| P-869266663 | 95 | As is | in stock |
| P-903170120 | 97 | As is | 998 mg |
| P-893460138 | 90 | As is | 998 mg |
| P-907315454 | 95 | As is | by synthesis |
| P-892190978 | 97 | As is | 998 mg |
| P-896031132 | 95 | As is | in stock |
| P-611182345 | 95 | As is | by synthesis |
| P-901515719 | 95 | As is | by synthesis |
| P-580432960 | 95 | As is | by resynthesis (? - ? days) |
| P-503317147 | 90 | As is | by synthesis |
| P-502874171 | 90 | As is | in stock |
| P-18749945 | 95 | As is | 429 mg |
| P-454410461 | 95 | As is | 429 mg |
| P-869376843 | N/A | As is | in stock |
| P-864026146 | 95 | As is | by synthesis |
| P-624155269 | 90 | As is | by synthesis |
| P-19010116 | 90 | As is | in stock |
| P-33806441 | 90 | As is | in stock |
| P-855221239 | 90 | As is | in stock |
| P-617781124 | 90 | As is | 553 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.248 |
| logP | 2.8998 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 116.05 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.1502 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

