MCULE-2498791706
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-6188302173
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2498791706.sdf |
| SMILES | MCULE-2498791706.smiles |
| Standard InChI | MCULE-2498791706.inchi |
| InChIKey | MCULE-2498791706.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630649 | 97 | Main component | in stock |
| P-875794658 | N/A | Main component | in stock |
| P-590363159 | 95 | Main component | in stock |
| P-903146240 | 97 | Main component | 150 g |
| P-905490370 | 97 | Main component | 10 g |
| P-893575830 | 90 | Main component | 408.897 g |
| P-606919614 | N/A | Main component | in stock |
| P-489128826 | 97 | Main component | in stock |
| P-596966353 | 97 | Main component | 150 g |
| P-895922062 | 95 | Main component | by resynthesis (? - ? days) |
| P-596346536 | 90 | Main component | 40 mg |
| P-864094840 | 95 | Main component | in stock |
| P-580702338 | 97 | Main component | 7 g |
| P-4651662 | 90 | Main component | 10 mg |
| P-55227 | 90 | Main component | 15 mg |
| P-868605517 | 98 | Main component | in stock |
| P-34663270 | 90 | Main component | in stock |
| P-580287004 | N/A | Main component | by resynthesis (? - ? days) |
| P-905341184 | 95 | Main component | 31 g |
| P-504609105 | 90 | Main component | by synthesis |
| P-617814631 | 90 | Main component | in stock |
| P-13703733 | 92 | Main component | 300 mg |
| P-563556770 | 95 | Main component | 5 g |
| P-608120795 | 95 | Main component | 10 g |
| P-863708751 | 95 | Main component | in stock |
| P-888898331 | N/A | Main component | in stock |
| P-674718253 | 92 | Main component | in stock |
| P-14019617 | 92 | Main component | 300 mg |
| P-889862623 | 95 | Main component | by synthesis |
| P-24019917 | 90 | Main component | in stock |
| P-596783147 | 97 | Main component | 61.5 g |
| P-611485575 | 90 | Main component | in stock |
| P-588799048 | N/A | Main component | by synthesis |
| P-1812459 | 90 | Main component | 110 mg |
| P-893983300 | 95 | Main component | in stock |
| P-886935593 | 95 | Main component | by synthesis |
| P-867518055 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 303.309 |
| logP | 2.5359 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 95.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.9983 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| 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 |

