MCULE-8335843100
- 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 | 21 USD | 98 | 22 working days | Get Quote |
| 5 mg | 36 USD | 97 | 20 working days | Get Quote |
| 10 mg | 47 USD | 97 | 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-5020922694
- Component type: Main
-
1
MCULE-9924961830
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8335843100.sdf |
| SMILES | MCULE-8335843100.smiles |
| Standard InChI | MCULE-8335843100.inchi |
| InChIKey | MCULE-8335843100.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275503157 | 95 | As is | by resynthesis (? - ? days) |
| P-886572639 | 98 | Main component | in stock |
| P-901260793 | 98 | Main component | in stock |
| P-588246427 | 95 | Main component | by resynthesis (? - ? days) |
| P-580192663 | 98 | Main component | in stock |
| P-1264047037 | 95 | Main component | in stock |
| P-610959335 | 90 | Main component | 119.461 g |
| P-1270292095 | 98 | Main component | in stock |
| P-606860749 | N/A | Main component | in stock |
| P-489123073 | 97 | Main component | in stock |
| P-596959096 | 97 | Main component | 20 g |
| P-1273450950 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273457703 | 95 | Main component | by resynthesis (? - ? days) |
| P-864122117 | 97 | Main component | in stock |
| P-605422541 | 98 | Main component | 670 mg |
| P-871218830 | N/A | Main component | by resynthesis (? - ? days) |
| P-901534588 | 95 | Main component | by synthesis |
| P-851268128 | 95 | Main component | by synthesis |
| P-893621813 | 98 | Main component | in stock |
| P-608494356 | 95 | Main component | in stock |
| P-1273122262 | 97 | Main component | 700 mg |
| P-901407193 | 97 | Main component | 20.451 g |
| P-505535951 | 95 | Main component | in stock |
| P-596562083 | 97 | Main component | 10 mg |
| P-905147468 | 95 | Main component | by synthesis |
| P-854717598 | 95 | Main component | in stock |
| P-584614862 | 95 | Main component | in stock |
| P-888171085 | 98 | Main component | by synthesis |
| P-888874798 | N/A | Main component | in stock |
| P-885534940 | 95 | Main component | by synthesis |
| P-579710105 | 98 | Main component | in stock |
| P-892297080 | 95 | Main component | unavailable |
| P-869162088 | 95 | Main component | 151 mg |
| P-888657480 | 95 | Main component | 151 mg |
| P-906783341 | 98 | Main component | by synthesis |
| P-611470456 | 90 | Main component | in stock |
| P-1271689960 | 98 | Main component | in stock |
| P-1267008519 | 95 | Main component as a main component | by synthesis |
| P-899989370 | 95 | Main component as a main component | by synthesis |
| P-904222793 | 95 | Main component as a main component | unavailable |
| P-904239126 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.412 |
| logP | 1.0053 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 161.47 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.9958 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 23 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 1 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

