MCULE-1905124271-0
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 26 USD | 95 | 14 working days | Get Quote |
| 10 mg | 26 USD | 95 | 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.
-
1
MCULE-9853713128-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1905124271-0.sdf |
| SMILES | MCULE-1905124271-0.smiles |
| Standard InChI | MCULE-1905124271-0.inchi |
| InChIKey | MCULE-1905124271-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867609832 | 98 | As is | in stock |
| P-875769274 | N/A | As is | in stock |
| P-505354704 | 98 | As is | in stock |
| P-881671801 | 95 | As is | in stock |
| P-904730123 | N/A | As is | in stock |
| P-905459529 | 97 | As is | in stock |
| P-904367666 | 99 | As is | 1.3 g |
| P-901455886 | 95 | As is | by synthesis |
| P-505576197 | 98 | As is | in stock |
| P-505522426 | 95 | As is | in stock |
| P-488555536 | 92 | As is | in stock |
| P-488555282 | 90 | As is | in stock |
| P-524164106 | 98 | As is | 250 mg |
| P-13795732 | 92 | As is | 300 mg |
| P-500371897 | 98 | As is | by synthesis |
| P-855053081 | 90 | As is | in stock |
| P-617773805 | 90 | As is | 131 mg |
| P-890143327 | N/A | Main component | in stock |
| P-615725336 | 98 | Main component | in stock |
| P-903050382 | 98 | Main component | 5 g |
| P-851854020 | N/A | Main component | by synthesis |
| P-489242254 | 97 | Main component | in stock |
| P-597005683 | 98 | Main component | 4 g |
| P-872724952 | 98 | Main component | in stock |
| P-864174559 | 98 | Main component | in stock |
| P-500413619 | 95 | Main component | by synthesis |
| P-590999843 | 98 | Main component | by synthesis |
| P-851299496 | 95 | Main component | by synthesis |
| P-579480983 | 95 | Main component | in stock |
| P-675211524 | 95 | Main component | in stock |
| P-855913964 | 97 | Main component | 5 g |
| P-852459142 | N/A | Main component | in stock |
| P-899992596 | 95 | Main component | in stock |
| P-474023049 | 95 | Main component | in stock |
| P-617402712 | N/A | Main component | in stock |
| P-869127158 | 95 | Main component | by synthesis |
| P-904247477 | 95 | Main component | unavailable |
| P-888640335 | 95 | Main component | 103 mg |
| P-906762386 | 98 | Main component | by synthesis |
| P-611453165 | 90 | Main component | in stock |
| P-615450374 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 414.966 |
| logP | 3.8511 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 32.78 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 126.299 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 31 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

