MCULE-4394527523
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-4394527523.sdf |
| SMILES | MCULE-4394527523.smiles |
| Standard InChI | MCULE-4394527523.inchi |
| InChIKey | MCULE-4394527523.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867548182 | 98 | As is | in stock |
| P-875705342 | 98 | As is | in stock |
| P-890252363 | 98 | As is | by synthesis |
| P-597023499 | 98 | As is | unavailable |
| P-597020993 | 98 | As is | unavailable |
| P-1275197486 | 98 | As is | in stock |
| P-1275155273 | 95 | As is | in stock |
| P-903029926 | 98 | As is | 172.4 g |
| P-905481987 | 98 | As is | 1000 g |
| P-901163621 | 98 | As is | in stock |
| P-1270368762 | 98 | As is | in stock |
| P-580238854 | 95 | As is | by synthesis |
| P-617062150 | 98 | As is | in stock |
| P-606884204 | N/A | As is | in stock |
| P-489113141 | 97 | As is | in stock |
| P-596940292 | 98 | As is | 10 kg |
| P-494336664 | 95 | As is | by resynthesis (? - ? days) |
| P-864087038 | 98 | As is | in stock |
| P-580697550 | 98 | As is | 1.039 kg |
| P-901452417 | 95 | As is | by synthesis |
| P-851258801 | 95 | As is | by synthesis |
| P-861275547 | 95 | As is | in stock |
| P-868567401 | 97 | As is | in stock |
| P-580290951 | N/A | As is | by resynthesis (? - ? days) |
| P-905329417 | 98 | As is | 231 g |
| P-861927772 | 98 | As is | 4.7799 kg |
| P-870656783 | N/A | As is | in stock |
| P-505533635 | 95 | As is | in stock |
| P-454303998 | 90 | As is | unavailable |
| P-579615069 | 97 | As is | in stock |
| P-619585368 | 95 | As is | by synthesis |
| P-580514570 | 96 | As is | in stock |
| P-1272577615 | 95 | As is | 2 kg |
| P-852437469 | 95 | As is | by synthesis |
| P-428002492 | 90 | As is | in stock |
| P-854725902 | 95 | As is | in stock |
| P-888858985 | N/A | As is | in stock |
| P-500392157 | 97 | As is | by synthesis |
| P-885544175 | 95 | As is | by synthesis |
| P-613816844 | 95 | As is | in stock |
| P-498700573 | 97 | As is | 9.1321 kg |
| P-502372434 | 90 | As is | in stock |
| P-906760610 | 98 | As is | by synthesis |
| P-615647071 | 95 | As is | unavailable |
| P-894984125 | 85 | As is | in stock |
| P-575299823 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.055 |
| logP | 2.578 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.1885 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

