Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9638104352
Compound
Show structures
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 53 USD | 98 | 8 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-7703149050
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9638104352.sdf |
| SMILES | MCULE-9638104352.smiles |
| Standard InChI | MCULE-9638104352.inchi |
| InChIKey | MCULE-9638104352.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861285907 | Chiralstar | Chiralstar Building Blocks | 95 | Main component | in stock |
| P-870653775 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-870662608 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
| P-596577958 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
| P-608115052 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
| P-885544635 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-870662808 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870654301 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-855910214 | Key Organics | Building Blocks | 98 | Main component as a main component | 30.171 g |
| P-885544638 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-873043877 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 4 mg |
| P-617779017 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 3.658 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 448.412 |
| logP | -0.9126 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 203.15 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 107.1615 |
| Atoms | 59 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 29 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| 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 |
