MCULE-5705535233
- 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 | 52 USD | 96 | 15 working days | Get Quote |
| 5 mg | 52 USD | 96 | 15 working days | Get Quote |
| 10 mg | 52 USD | 96 | 15 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-5705535233.sdf |
| SMILES | MCULE-5705535233.smiles |
| Standard InChI | MCULE-5705535233.inchi |
| InChIKey | MCULE-5705535233.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886624556 | 96 | As is | in stock |
| P-890160794 | N/A | As is | in stock |
| P-869316344 | 95 | As is | in stock |
| P-903168155 | 96 | As is | 15 g |
| P-904314599 | 90 | As is | 6 g |
| P-580211878 | 95 | As is | by synthesis |
| P-606905025 | N/A | As is | in stock |
| P-589663240 | 95 | As is | by resynthesis (? - ? days) |
| P-889780633 | 95 | As is | in stock |
| P-890237155 | 96 | As is | 8.131 g |
| P-901473304 | 95 | As is | by synthesis |
| P-868641463 | 96 | As is | in stock |
| P-580391105 | N/A | As is | by resynthesis (? - ? days) |
| P-855939672 | 95 | As is | 5 g |
| P-31270484 | 90 | As is | 2 g |
| P-35177512 | 90 | As is | 1.002 kg |
| P-854833280 | 95 | As is | by synthesis |
| P-906814703 | 96 | As is | by synthesis |
| P-611571373 | 90 | As is | in stock |
| P-893998105 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.173 |
| logP | 0.92938 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 53.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.6178 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

