MCULE-9489956613-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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.
-
1
MCULE-4442165428-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9489956613-0.sdf |
| SMILES | MCULE-9489956613-0.smiles |
| Standard InChI | MCULE-9489956613-0.inchi |
| InChIKey | MCULE-9489956613-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875748385 | N/A | As is | in stock |
| P-869185112 | 95 | As is | in stock |
| P-579762353 | 98 | As is | in stock |
| P-903079406 | 98 | As is | 660 g |
| P-865621634 | 95 | As is | by synthesis |
| P-606939605 | N/A | As is | in stock |
| P-489109468 | 97 | As is | in stock |
| P-596984477 | 98 | As is | 500 g |
| P-895930377 | 95 | As is | by resynthesis (? - ? days) |
| P-864126589 | 97 | As is | in stock |
| P-615698890 | 95 | As is | 155 g |
| P-893237149 | 95 | As is | in stock |
| P-868639893 | 95 | As is | in stock |
| P-905351763 | 97 | As is | 12 g |
| P-862093810 | 97 | As is | 12 g |
| P-579623662 | 95 | As is | unavailable |
| P-860796965 | 98 | As is | 500 g |
| P-584625646 | 95 | As is | in stock |
| P-878643183 | 98 | As is | in stock |
| P-885550918 | 95 | As is | by synthesis |
| P-869124811 | 95 | As is | by synthesis |
| P-892290508 | 95 | As is | 3.225 g |
| P-888638515 | 95 | As is | 3.225 g |
| P-906774863 | 98 | As is | by synthesis |
| P-611349255 | 90 | As is | in stock |
| P-575292984 | 95 | As is | in stock |
| P-867557102 | 98 | Main component as a main component | in stock |
| P-875716114 | N/A | Main component as a main component | in stock |
| P-881661423 | 95 | Main component as a main component | in stock |
| P-590415940 | 98 | Main component as a main component | in stock |
| P-903044213 | 98 | Main component as a main component | 800 g |
| P-606904379 | N/A | Main component as a main component | in stock |
| P-596987106 | 98 | Main component as a main component | 600 g |
| P-864198191 | 95 | Main component as a main component | in stock |
| P-901549575 | 95 | Main component as a main component | by synthesis |
| P-868627321 | 95 | Main component as a main component | in stock |
| P-889309728 | 98 | Main component as a main component | 600 g |
| P-596575250 | 97 | Main component as a main component | 100 g |
| P-854828997 | 95 | Main component as a main component | by synthesis |
| P-885550919 | 95 | Main component as a main component | by synthesis |
| P-906820502 | 98 | Main component as a main component | by synthesis |
| P-615410764 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 111.032 |
| logP | -2.0781 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 83.22 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 14.4649 |
| Atoms | 9 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 2 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |

