Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5604163174-0
Structure
Show compound
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 | 102 USD | 99 | 8 working days | Get Quote |
| 5 mg | 102 USD | 99 | 8 working days | Get Quote |
| 10 mg | 102 USD | 99 | 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-2462818202-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5604163174-0.sdf |
| SMILES | MCULE-5604163174-0.smiles |
| Standard InChI | MCULE-5604163174-0.inchi |
| InChIKey | MCULE-5604163174-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892861833 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-901268213 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903133126 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 10 mg |
| P-899941275 | AmBeed | On request | N/A | As is | by synthesis |
| P-895098811 | Angene | Building Blocks in stock | 98 | As is | 10 mg |
| P-869420235 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-868543828 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-901893312 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-901565922 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-901565924 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-870659851 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-873248720 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-872798312 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-901021194 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-474027955 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-869156176 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888652779 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 468.456 |
| logP | 5.5135 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 44.81 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 139.4927 |
| Atoms | 66 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 35 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
