Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9166019653
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 49 USD | 95 | 11 working days | Get Quote |
| 10 mg | 49 USD | 95 | 11 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-7320698397
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9166019653.sdf |
| SMILES | MCULE-9166019653.smiles |
| Standard InChI | MCULE-9166019653.inchi |
| InChIKey | MCULE-9166019653.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489184154 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-608220130 | Glentham Life Sciences | Compounds maintained in stock | 900 | As is | in stock |
| P-31189436 | LaboTest | Screening Collection | 90 | As is | 200 mg |
| P-854900693 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-675078798 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888628504 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869110109 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-617748168 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 972 mg |
| P-608220126 | Glentham Life Sciences | Compounds maintained in stock | 97 | Main component | in stock |
| P-19098023 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889869600 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-824961 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.872 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 418.424 |
| logP | -0.4136 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 169.38 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.1782 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 15 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
