MCULE-6131272946
- 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 | 77 USD | 95 | 26 working days | Get Quote |
| 5 mg | 77 USD | 95 | 26 working days | Get Quote |
| 10 mg | 77 USD | 95 | 26 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-3435522661
- Component type: Main
-
2
MCULE-4467353796
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6131272946.sdf |
| SMILES | MCULE-6131272946.smiles |
| Standard InChI | MCULE-6131272946.inchi |
| InChIKey | MCULE-6131272946.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637289 | 90 | Main component | in stock |
| P-875802688 | 90 | Main component | in stock |
| P-869354904 | 95 | Main component | in stock |
| P-903158067 | 95 | Main component | 20 g |
| P-893574598 | 90 | Main component | 50 g |
| P-489136651 | 97 | Main component | in stock |
| P-892190614 | 95 | Main component | 20 g |
| P-896024675 | 95 | Main component | in stock |
| P-901444372 | 95 | Main component | by synthesis |
| P-861275180 | 95 | Main component | in stock |
| P-580439127 | 95 | Main component | by resynthesis (? - ? days) |
| P-889314512 | 95 | Main component | 50 g |
| P-23146279 | 90 | Main component | in stock |
| P-873224384 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 442.378 |
| logP | -0.032 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 205.12 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 114.4428 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 18 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |

