MCULE-4218315020
- 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.
| Name | File |
|---|---|
| SDF | MCULE-4218315020.sdf |
| SMILES | MCULE-4218315020.smiles |
| Standard InChI | MCULE-4218315020.inchi |
| InChIKey | MCULE-4218315020.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852083000 | N/A | As is | by synthesis |
| P-875763205 | N/A | As is | in stock |
| P-612935990 | 95 | As is | in stock |
| P-851682115 | N/A | As is | by synthesis |
| P-596418470 | 90 | As is | 1000 mg |
| P-596515011 | 90 | As is | 1000 mg |
| P-901349328 | 95 | As is | by synthesis |
| P-591014816 | 95 | As is | by synthesis |
| P-893362033 | 90 | As is | 1000 mg |
| P-454714385 | 90 | As is | in stock |
| P-454755286 | 90 | As is | in stock |
| P-436449835 | 95 | As is | 6 g |
| P-675037032 | 90 | As is | in stock |
| P-19866632 | 90 | As is | in stock |
| P-34802108 | 90 | As is | by synthesis |
| P-580775369 | 90 | As is | by resynthesis (? - ? days) |
| P-580764845 | 90 | As is | in stock |
| P-580300213 | 95 | As is | by resynthesis (? - ? days) |
| P-13027081 | 92 | As is | 142 mg |
| P-596587247 | 90 | As is | 1000 mg |
| P-580496439 | N/A | As is | by synthesis |
| P-852381032 | N/A | As is | in stock |
| P-854842001 | 95 | As is | by synthesis |
| P-13580741 | 92 | As is | 142 mg |
| P-500388971 | 98 | As is | by synthesis |
| P-885519752 | 95 | As is | by synthesis |
| P-23880834 | 90 | As is | in stock |
| P-12752354 | 90 | As is | 74 mg |
| P-33464456 | 90 | As is | in stock |
| P-502331295 | 90 | As is | in stock |
| P-888429877 | 94 | As is | by resynthesis (? - ? days) |
| P-855215219 | 90 | As is | in stock |
| P-1013091 | 90 | As is | 3.149 g |
| P-3225444 | 90 | As is | 3.149 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.169 |
| logP | 1.654 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 114.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.0233 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 7 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |

