Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4590091271
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7676822202
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4590091271.sdf |
| SMILES | MCULE-4590091271.smiles |
| Standard InChI | MCULE-4590091271.inchi |
| InChIKey | MCULE-4590091271.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886674303 | 95 | As is | in stock |
| P-889976482 | 95 | As is | by synthesis |
| P-869216422 | 95 | As is | by resynthesis (? - ? days) |
| P-903240345 | 95 | As is | 5 g |
| P-851568423 | N/A | As is | by synthesis |
| P-889799629 | 95 | As is | by synthesis |
| P-611067407 | 95 | As is | by synthesis |
| P-901494013 | 95 | As is | by synthesis |
| P-895463231 | 95 | As is | by synthesis |
| P-611364606 | 90 | As is | in stock |
| P-893802796 | 95 | As is | by synthesis |
| P-867405194 | 85 | Main component | by synthesis |
| P-1264928160 | 85 | Main component | by synthesis |
| P-894669579 | 95 | Main component | by resynthesis (? - ? days) |
| P-851433672 | N/A | Main component | by synthesis |
| P-611152293 | 95 | Main component | by synthesis |
| P-901513162 | 95 | Main component | by synthesis |
| P-504708245 | 85 | Main component | 5 mg |
| P-454754998 | 90 | Main component | in stock |
| P-607694645 | 90 | Main component | 14 mg |
| P-34801927 | 90 | Main component | by synthesis |
| P-580775181 | 90 | Main component | by resynthesis (? - ? days) |
| P-580764664 | 90 | Main component | in stock |
| P-488548025 | 90 | Main component | in stock |
| P-13596192 | 92 | Main component | 300 mg |
| P-596594588 | 90 | Main component | 1000 mg |
| P-611664744 | N/A | Main component | by synthesis |
| P-854883733 | 95 | Main component | by synthesis |
| P-454371156 | 92 | Main component | in stock |
| P-23806764 | 92 | Main component | 300 mg |
| P-491128033 | 95 | Main component | by synthesis |
| P-23824777 | 90 | Main component | in stock |
| P-12808365 | 90 | Main component | 85 mg |
| P-33464998 | 90 | Main component | in stock |
| P-502341658 | 90 | Main component | in stock |
| P-1230569 | 90 | Main component | 1.168 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 325.633 |
| logP | 4.5342 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.7914 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 7 |
| 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 |
