Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8811478865
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 | 112 USD | 90 | 10 working days | Get Quote |
| 5 mg | 112 USD | 90 | 10 working days | Get Quote |
| 10 mg | 112 USD | 90 | 10 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-4740161184
- Component type: Main
-
1
MCULE-5396813937
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8811478865.sdf |
| SMILES | MCULE-8811478865.smiles |
| Standard InChI | MCULE-8811478865.inchi |
| InChIKey | MCULE-8811478865.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870650561 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-31249548 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-870653992 | Glentham Life Sciences | Compounds typically in stock | 97 | Main component | in stock |
| P-870651129 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-855982595 | Key Organics | Building Blocks | 97 | Main component | 250 mg |
| P-563429065 | Key Organics | Building Blocks | 97 | Main component | 500 g |
| P-856041168 | LaboTest | Building Blocks | 90 | Main component | 10 g |
| P-31249138 | LaboTest | Screening Collection | 90 | Main component | 10 g |
| P-885550750 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-502366785 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-870650828 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-596569195 | Key Organics | Building Blocks | 97 | Main component as a main component | 10 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 248.201 |
| logP | -6.0702 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 161.18 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 35.2622 |
| Atoms | 23 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| 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 |
