MCULE-6717041297
- 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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 80 USD | 90 | 21 working days | Get Quote |
| 10 mg | 96 USD | 90 | 21 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-5830857858
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6717041297.sdf |
| SMILES | MCULE-6717041297.smiles |
| Standard InChI | MCULE-6717041297.inchi |
| InChIKey | MCULE-6717041297.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867491644 | N/A | As is | by synthesis |
| P-867623326 | 98 | Main component | in stock |
| P-875785988 | N/A | Main component | in stock |
| P-579760540 | 98 | Main component | in stock |
| P-869267215 | 95 | Main component | in stock |
| P-893564329 | 90 | Main component | 2 g |
| P-872728894 | 98 | Main component | in stock |
| P-864250511 | 95 | Main component | by synthesis |
| P-901540905 | 95 | Main component | by synthesis |
| P-901545516 | 95 | Main component | by synthesis |
| P-901487163 | 95 | Main component | by synthesis |
| P-872747520 | 95 | Main component | by synthesis |
| P-580272326 | 95 | Main component | by resynthesis (? - ? days) |
| P-500417840 | 99 | Main component | in stock |
| P-890849710 | 95 | Main component | in stock |
| P-588708706 | 98 | Main component | unavailable |
| P-899782872 | 97 | Main component | 100 mg |
| P-31256582 | 90 | Main component | unavailable |
| P-26461787 | 90 | Main component | 73 mg |
| P-885528878 | 95 | Main component | by synthesis |
| P-579331030 | 90 | Main component | in stock |
| P-873285807 | N/A | Main component | in stock |
| P-33162897 | 90 | Main component | 1000 mg |
| P-855029271 | 90 | Main component | in stock |
| P-855029272 | 90 | Main component | in stock |
| P-855029273 | 90 | Main component | in stock |
| P-855029275 | 90 | Main component | in stock |
| P-854956089 | 90 | Main component | in stock |
| P-464682055 | 90 | Main component | unavailable |
| P-3025886 | 90 | Main component | unavailable |
| P-893667857 | 95 | Main component | by synthesis |
| P-894012641 | 95 | Main component | in stock |
| P-852083689 | N/A | Main component as a main component | by synthesis |
| P-867457570 | N/A | Main component as a main component | by synthesis |
| P-889913185 | N/A | Main component as a main component | by synthesis |
| P-901461759 | 95 | Main component as a main component | by synthesis |
| P-893246289 | 95 | Main component as a main component | by synthesis |
| P-500417841 | 95 | Main component as a main component | in stock |
| P-675216398 | 95 | Main component as a main component | in stock |
| P-899783901 | 97 | Main component as a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 260.312 |
| logP | 2.2142 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 99.11 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.3496 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

