MCULE-4507699259-0
- 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 | 6 USD | 99 | 22 working days | Get Quote |
| 5 mg | 6 USD | 99 | 22 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
-
1
MCULE-1930292316-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4507699259-0.sdf |
| SMILES | MCULE-4507699259-0.smiles |
| Standard InChI | MCULE-4507699259-0.inchi |
| InChIKey | MCULE-4507699259-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587968 | 99 | As is | in stock |
| P-875747113 | N/A | As is | in stock |
| P-597026650 | 98 | As is | in stock |
| P-869188457 | 95 | As is | in stock |
| P-505389268 | 98 | As is | in stock |
| P-505395427 | 98 | As is | in stock |
| P-903077901 | 97 | As is | 200 g |
| P-606943810 | N/A | As is | in stock |
| P-596955184 | 97 | As is | 500 g |
| P-864100453 | 95 | As is | in stock |
| P-868545851 | 100 | As is | in stock |
| P-580696530 | 99 | As is | 130 g |
| P-1263528856 | 95 | As is | by synthesis |
| P-851268511 | 95 | As is | by synthesis |
| P-580452449 | 98 | As is | in stock |
| P-868576977 | 98 | As is | in stock |
| P-608497334 | 95 | As is | in stock |
| P-870662544 | 98 | As is | in stock |
| P-505528186 | 95 | As is | in stock |
| P-505494452 | 95 | As is | in stock |
| P-856009214 | 98 | As is | 100 mg |
| P-596567699 | 95 | As is | 100 mg |
| P-31252553 | 90 | As is | 500 mg |
| P-904061389 | 95 | As is | by synthesis |
| P-854714028 | 95 | As is | in stock |
| P-500375699 | 97 | As is | by synthesis |
| P-1263958532 | 90 | As is | in stock |
| P-885540408 | 95 | As is | by synthesis |
| P-579711771 | N/A | As is | in stock |
| P-869108914 | 95 | As is | by synthesis |
| P-892287104 | 95 | As is | 1.002 g |
| P-888627720 | 95 | As is | 1.002 g |
| P-502328815 | 90 | As is | in stock |
| P-22523885 | 90 | As is | 993 mg |
| P-906774294 | 97 | As is | by synthesis |
| P-611425970 | 90 | As is | in stock |
| P-855025877 | 90 | As is | in stock |
| P-855025879 | 90 | As is | in stock |
| P-855025881 | 90 | As is | in stock |
| P-893991399 | 95 | As is | in stock |
| P-886604103 | 95 | Main component | in stock |
| P-867399653 | N/A | Main component | by synthesis |
| P-890155984 | N/A | Main component | in stock |
| P-588247439 | 98 | Main component | in stock |
| P-901662752 | N/A | Main component | in stock |
| P-900246776 | 95 | Main component | 5 g |
| P-904980249 | 95 | Main component | by synthesis |
| P-481167956 | 95 | Main component | 19 g |
| P-901923284 | 98 | Main component | 3.397 g |
| P-901460822 | 95 | Main component | by synthesis |
| P-868563971 | 95 | Main component | in stock |
| P-579663475 | 95 | Main component | by resynthesis (? - ? days) |
| P-852497196 | N/A | Main component | in stock |
| P-905144131 | 95 | Main component | in stock |
| P-869126647 | 95 | Main component | by synthesis |
| P-888639978 | 95 | Main component | unavailable |
| P-502373180 | 90 | Main component | in stock |
| P-611425969 | 90 | Main component | in stock |
| P-893806444 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 215.718 |
| logP | 3.5317 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.1524 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

