MCULE-4273555833
- 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-4273555833.sdf |
| SMILES | MCULE-4273555833.smiles |
| Standard InChI | MCULE-4273555833.inchi |
| InChIKey | MCULE-4273555833.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872802819 | 95 | As is | by synthesis |
| P-894653547 | 95 | As is | in stock |
| P-851465511 | N/A | As is | by synthesis |
| P-590789257 | 95 | As is | by synthesis |
| P-901474938 | 95 | As is | by synthesis |
| P-504733898 | 85 | As is | 5 mg |
| P-454757104 | 90 | As is | in stock |
| P-619859615 | 90 | As is | 96 mg |
| P-675039360 | 90 | As is | in stock |
| P-34525925 | 90 | As is | in stock |
| P-580776845 | 90 | As is | by resynthesis (? - ? days) |
| P-580766187 | 90 | As is | in stock |
| P-611663838 | N/A | As is | by synthesis |
| P-854860139 | 95 | As is | by synthesis |
| P-491129124 | 95 | As is | by synthesis |
| P-23869423 | 90 | As is | in stock |
| P-33466093 | 90 | As is | in stock |
| P-502342864 | 90 | As is | in stock |
| P-903959107 | 94 | As is | by resynthesis (? - ? days) |
| P-1176085 | 90 | As is | 1.066 g |
| P-596526261 | 90 | As is | 1.066 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.167 |
| logP | 3.2275 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 39.44 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.9065 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

