Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3325471780-0
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 | 36 USD | 98 | 20 working days | Get Quote |
| 5 mg | 36 USD | 98 | 20 working days | Get Quote |
| 10 mg | 36 USD | 98 | 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-5140143692-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3325471780-0.sdf |
| SMILES | MCULE-3325471780-0.smiles |
| Standard InChI | MCULE-3325471780-0.inchi |
| InChIKey | MCULE-3325471780-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860615288 | 98 | As is | by synthesis |
| P-901201810 | N/A | As is | by synthesis |
| P-903171228 | 98 | As is | 5 g |
| P-893523092 | 90 | As is | 1.329 g |
| P-856056071 | 95 | As is | by synthesis |
| P-881108617 | 98 | As is | 1000 mg |
| P-855984145 | 97 | As is | 100 mg |
| P-889883839 | 95 | As is | by synthesis |
| P-675029924 | 90 | Main component | in stock |
| P-870652277 | N/A | Main component | in stock |
| P-608083777 | 98 | Main component | 50 g |
| P-885537904 | 95 | Main component | by synthesis |
| P-675095820 | 90 | Main component | in stock |
| P-903769113 | 94 | Main component | by resynthesis (? - ? days) |
| P-852023314 | 90 | Main component | 1.203 g |
| P-33331968 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 434.508 |
| logP | 3.5412 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 128.31 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 116.4923 |
| Atoms | 56 |
| Rings | 5 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
