MCULE-7248044617
- 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 | 17 USD | 85 | 20 working days | Get Quote |
| 5 mg | 17 USD | 85 | 20 working days | Get Quote |
| 10 mg | 17 USD | 85 | 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-8938906983
- Component type: Main
-
2
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7248044617.sdf |
| SMILES | MCULE-7248044617.smiles |
| Standard InChI | MCULE-7248044617.inchi |
| InChIKey | MCULE-7248044617.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875702828 | N/A | As is | in stock |
| P-903026954 | 85 | As is | 12 g |
| P-851951567 | N/A | As is | in stock |
| P-865904470 | 85 | As is | 12 g |
| P-896032489 | 95 | As is | by synthesis |
| P-893260588 | 95 | As is | by synthesis |
| P-851245833 | 95 | As is | by synthesis |
| P-861446865 | 95 | As is | by synthesis |
| P-870658552 | 90 | As is | in stock |
| P-852468228 | N/A | As is | in stock |
| P-852521790 | N/A | As is | in stock |
| P-855315155 | 90 | As is | in stock |
| P-854651019 | 95 | As is | in stock |
| P-852194343 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 596.649 |
| logP | 5.3244 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 184.04 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 161.8682 |
| Atoms | 83 |
| Rings | 6 |
| Heavy atoms | 42 |
| Hydrogen atoms | 41 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |

