Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6317187225
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 | 58 USD | 95 | 22 working days | Get Quote |
| 5 mg | 58 USD | 95 | 22 working days | Get Quote |
| 10 mg | 58 USD | 95 | 22 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-4987453294
- Component type: Main
-
1
MCULE-3169739755
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6317187225.sdf |
| SMILES | MCULE-6317187225.smiles |
| Standard InChI | MCULE-6317187225.inchi |
| InChIKey | MCULE-6317187225.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886605699 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890156240 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903141648 | Aaron Chemicals LLC | Predominantly Building Block | 96 | As is | 225 mg |
| P-893457592 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 245 mg |
| P-851724110 | AmBeed | On request | N/A | As is | by synthesis |
| P-888818516 | Angene | Building Blocks in stock | 96 | As is | 225 mg |
| P-889849629 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590912849 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-893625852 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-870663127 | Glentham Life Sciences | Compounds maintained in stock | 95 | As is | in stock |
| P-899783561 | Key Organics | Building Blocks | 95 | As is | 10 mg |
| P-895209589 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-888170658 | Molnova | On demand | 98 | As is | by synthesis |
| P-869146157 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892293113 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888648773 | TargetMol | Screening Compounds - stock amount | 95 | As is | 163 mg |
| P-855004614 | Toronto Research | In stock | 90 | As is | in stock |
| P-867571063 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875730855 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869229063 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-872724032 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-901346604 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-895185179 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-869146177 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888648781 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-611474622 | Toronto Research | In stock | 90 | Main component | in stock |
| P-892939454 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 544.755 |
| logP | 7.7838 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 130.81 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 154.9993 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 32 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| 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 |
