MCULE-8520489251
- 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 | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
MCULE-2965712469
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8520489251.sdf |
| SMILES | MCULE-8520489251.smiles |
| Standard InChI | MCULE-8520489251.inchi |
| InChIKey | MCULE-8520489251.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892982315 | N/A | As is | by synthesis |
| P-580046419 | 90 | As is | in stock |
| P-492240973 | 95 | As is | in stock |
| P-856066328 | 95 | As is | in stock |
| P-502398585 | 90 | As is | in stock |
| P-675249154 | 95 | As a main component | by synthesis |
| P-675255250 | 95 | As a main component | by synthesis |
| P-675344318 | 90 | As a main component | in stock |
| P-675484518 | 95 | As a main component | in stock |
| P-24205919 | 95 | As a main component | 300 mg |
| P-13266926 | 92 | As a main component | 300 mg |
| P-896076270 | N/A | As a main component | 9.744 g |
| P-907190421 | 94 | As a main component | by resynthesis (? - ? days) |
| P-907285528 | 94 | As a main component | by resynthesis (? - ? days) |
| P-617772309 | 90 | As a main component | 145 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.249 |
| logP | -0.0714 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 102.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.2544 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| 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 |

