Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3115056598-0
Structure
Show compound
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 | 14 USD | 95 | 20 working days | Get Quote |
| 5 mg | 14 USD | 95 | 20 working days | Get Quote |
| 10 mg | 14 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-2888830847-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3115056598-0.sdf |
| SMILES | MCULE-3115056598-0.smiles |
| Standard InChI | MCULE-3115056598-0.inchi |
| InChIKey | MCULE-3115056598-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668924 | 95 | As is | in stock |
| P-875843243 | N/A | As is | in stock |
| P-904544738 | 95 | As is | in stock |
| P-851792852 | N/A | As is | by synthesis |
| P-611137008 | 95 | As is | by synthesis |
| P-616226465 | 95 | As is | in stock |
| P-4143188 | 90 | As is | 100 mg |
| P-861376377 | 95 | As is | by synthesis |
| P-575332461 | 95 | As is | in stock |
| P-855950093 | 95 | As is | 1000 mg |
| P-862531127 | N/A | As is | by synthesis |
| P-895277516 | 95 | As is | by synthesis |
| P-611418086 | 90 | As is | in stock |
| P-893678882 | 95 | As is | by synthesis |
| P-867600880 | 95 | Main component | in stock |
| P-875758346 | N/A | Main component | in stock |
| P-892785287 | 95 | Main component | in stock |
| P-903093637 | 98 | Main component | 75 g |
| P-610976201 | 90 | Main component | 294.46 g |
| P-606924966 | N/A | Main component | in stock |
| P-865912553 | 95 | Main component | 60 g |
| P-864175196 | 95 | Main component | in stock |
| P-666964195 | 95 | Main component | 1000 mg |
| P-901649996 | 95 | Main component | in stock |
| P-575332387 | 95 | Main component | in stock |
| P-861948882 | 95 | Main component | 90.777 g |
| P-855961695 | 95 | Main component | 5 g |
| P-862530702 | N/A | Main component | by synthesis |
| P-901572974 | 95 | Main component | in stock |
| P-889862339 | 95 | Main component | by synthesis |
| P-873285606 | N/A | Main component | in stock |
| P-906767897 | 97 | Main component | by synthesis |
| P-588719109 | N/A | Main component | by synthesis |
| P-868514762 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 215.718 |
| logP | 3.3861 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0877 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
