MCULE-7133199406-0
- 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 | 33 USD | 98 | 20 working days | Get Quote |
| 5 mg | 33 USD | 98 | 20 working days | Get Quote |
| 10 mg | 33 USD | 98 | 20 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-9262211835-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7133199406-0.sdf |
| SMILES | MCULE-7133199406-0.smiles |
| Standard InChI | MCULE-7133199406-0.inchi |
| InChIKey | MCULE-7133199406-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892885779 | 95 | As is | in stock |
| P-901235654 | N/A | As is | by synthesis |
| P-892792599 | 95 | As is | in stock |
| P-903355794 | 95 | As is | 5 g |
| P-606882348 | N/A | As is | in stock |
| P-888829125 | 95 | As is | 5 g |
| P-1263774226 | 95 | As is | by synthesis |
| P-890242978 | 95 | As is | 4.27 g |
| P-889732419 | 95 | As is | by synthesis |
| P-895322338 | 95 | As is | by synthesis |
| P-906861279 | 95 | As is | by synthesis |
| P-886910416 | 95 | As is | in stock |
| P-886537750 | 95 | Main component | in stock |
| P-890142323 | N/A | Main component | in stock |
| P-869305877 | 95 | Main component | in stock |
| P-903043264 | 98 | Main component | 50 g |
| P-893576701 | 90 | Main component | 101.137 g |
| P-606838131 | N/A | Main component | in stock |
| P-489219135 | 97 | Main component | in stock |
| P-596943453 | 98 | Main component | 15 g |
| P-895939558 | 95 | Main component | by resynthesis (? - ? days) |
| P-889545321 | 95 | Main component | in stock |
| P-580715581 | 98 | Main component | 9.757 g |
| P-861506933 | 95 | Main component | by synthesis |
| P-905350221 | 95 | Main component | 1.25 g |
| P-862060501 | 95 | Main component | 22.073 g |
| P-590338102 | 90 | Main component | 1000 mg |
| P-890215668 | 90 | Main component | 1000 mg |
| P-524199559 | 98 | Main component | 1000 mg |
| P-868742277 | 95 | Main component | in stock |
| P-492274503 | 95 | Main component | 1000 mg |
| P-12391792 | 90 | Main component | 1000 mg |
| P-859993187 | 95 | Main component | by synthesis |
| P-611565182 | 90 | Main component | in stock |
| P-872751732 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 183.676 |
| logP | 3.2307 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.1137 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |

