MCULE-8148440379
- 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 | 48 USD | 90 | 22 working days | Get Quote |
| 5 mg | 65 USD | 96 | 9 working days | Get Quote |
| 10 mg | 65 USD | 96 | 9 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-7131514332
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8148440379.sdf |
| SMILES | MCULE-8148440379.smiles |
| Standard InChI | MCULE-8148440379.inchi |
| InChIKey | MCULE-8148440379.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869235883 | 95 | As is | by resynthesis (? - ? days) |
| P-851419625 | N/A | As is | by synthesis |
| P-864241890 | 95 | As is | by synthesis |
| P-590757148 | 96 | As is | by synthesis |
| P-868578621 | 96 | As is | in stock |
| P-580277046 | 95 | As is | by resynthesis (? - ? days) |
| P-579636337 | 96 | As is | by resynthesis (? - ? days) |
| P-856012510 | 90 | As is | 250 mg |
| P-860791973 | N/A | As is | by synthesis |
| P-854832039 | 95 | As is | by synthesis |
| P-892863820 | 96 | Main component | in stock |
| P-901271733 | 96 | Main component | in stock |
| P-869262701 | 95 | Main component | by resynthesis (? - ? days) |
| P-851691594 | N/A | Main component | by synthesis |
| P-591060409 | 96 | Main component | by synthesis |
| P-868556171 | 96 | Main component | in stock |
| P-855938736 | 95 | Main component | 1000 mg |
| P-895543584 | 95 | Main component | by synthesis |
| P-611372491 | 90 | Main component | in stock |
| P-454387843 | 95 | Main component as a main component | 500 mg |
| P-856012555 | 90 | Main component as a main component | 250 mg |
| P-675095556 | 90 | Main component as a main component | in stock |
| P-873213295 | 90 | Main component as a main component | in stock |
| P-617763785 | 90 | Main component as a main component | 230 mg |
| P-893803350 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 208.085 |
| logP | -3.8106 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 68.22 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.0042 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

