Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8662207376
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 | 10 USD | 98 | 9 working days | Get Quote |
| 5 mg | 10 USD | 98 | 9 working days | Get Quote |
| 10 mg | 10 USD | 98 | 9 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-3413031259
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8662207376.sdf |
| SMILES | MCULE-8662207376.smiles |
| Standard InChI | MCULE-8662207376.inchi |
| InChIKey | MCULE-8662207376.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-666949220 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-590864857 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-616203459 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 26 g |
| P-890240283 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 17 g |
| P-868639317 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-861475851 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-856078779 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
| P-619672515 | Molnova | Stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 426.143 |
| logP | -2.1797 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 240.29 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 74.5574 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 13 |
| Heteroatoms | 17 |
| N/O atoms | 14 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
