Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3180910387
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 54 USD | 98 | 17 working days | Get Quote |
| 10 mg | 54 USD | 98 | 17 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-4942939208
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3180910387.sdf |
| SMILES | MCULE-3180910387.smiles |
| Standard InChI | MCULE-3180910387.inchi |
| InChIKey | MCULE-3180910387.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901510603 | 95 | As is | by synthesis |
| P-905322423 | 97 | Main component | 1000 mg |
| P-885544586 | 95 | Main component | by synthesis |
| P-904202625 | 90 | Main component | in stock |
| P-502327447 | 90 | Main component | in stock |
| P-22454974 | 90 | Main component | 1000 mg |
| P-867512232 | N/A | Main component as a main component | by synthesis |
| P-870662764 | 98 | Main component as a main component | in stock |
| P-675211255 | 95 | Main component as a main component | in stock |
| P-855910205 | 97 | Main component as a main component | 1000 g |
| P-888665471 | 90 | Main component as a main component | in stock |
| P-896188199 | 90 | Main component as a main component | unavailable |
| P-617742085 | 90 | Main component as a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 464.411 |
| logP | -0.6404 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 7 |
| PSA | 219.09 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 110.2618 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 29 |
| Heteroatoms | 15 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
