Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1159798065
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 | 16 USD | 95 | 20 working days | Get Quote |
| 5 mg | 16 USD | 95 | 20 working days | Get Quote |
| 10 mg | 16 USD | 95 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4410601814
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1159798065.sdf |
| SMILES | MCULE-1159798065.smiles |
| Standard InChI | MCULE-1159798065.inchi |
| InChIKey | MCULE-1159798065.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553757 | N/A | Main component | in stock |
| P-875712371 | N/A | Main component | in stock |
| P-590370004 | 95 | Main component | in stock |
| P-903039122 | 95 | Main component | 5 g |
| P-851821169 | N/A | Main component | by synthesis |
| P-881089357 | 95 | Main component | 5 g |
| P-1263774569 | 95 | Main component | by synthesis |
| P-590976207 | 95 | Main component | by synthesis |
| P-492266568 | 95 | Main component | in stock |
| P-4614741 | 90 | Main component | 50 mg |
| P-619932928 | 90 | Main component | by synthesis |
| P-4366462 | 90 | Main component | 34 mg |
| P-436445834 | 95 | Main component | 10 g |
| P-675063118 | 90 | Main component | in stock |
| P-868648225 | 95 | Main component | in stock |
| P-34746822 | 90 | Main component | by synthesis |
| P-580271867 | 95 | Main component | by resynthesis (? - ? days) |
| P-502448744 | 95 | Main component | by synthesis |
| P-502939950 | 90 | Main component | in stock |
| P-492226767 | 95 | Main component | in stock |
| P-18721481 | 95 | Main component | 10.911 g |
| P-454391448 | 95 | Main component | 10.911 g |
| P-852396056 | N/A | Main component | in stock |
| P-854917719 | 95 | Main component | by synthesis |
| P-34026671 | 90 | Main component | 100 mg |
| P-500396278 | 95 | Main component | by synthesis |
| P-856063847 | 95 | Main component | in stock |
| P-23843179 | 90 | Main component | in stock |
| P-666743339 | 90 | Main component | 123 mg |
| P-502327183 | 90 | Main component | in stock |
| P-22446849 | 90 | Main component | 81 mg |
| P-906820253 | 95 | Main component | by synthesis |
| P-611434423 | 90 | Main component | in stock |
| P-690762 | 90 | Main component | 2.892 g |
| P-872754366 | 95 | Main component | in stock |
| P-580762615 | 90 | Main component as a main component | by synthesis |
| P-675097110 | 90 | Main component as a main component | in stock |
| P-896195075 | 90 | Main component as a main component | 12 mg |
| P-617766645 | 90 | Main component as a main component | 567 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 362.464 |
| logP | 5.8865 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 76.21 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 110.6537 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 26 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
