Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5487529107
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 | 153 USD | 95 | 7 working days | Get Quote |
| 5 mg | 208 USD | 95 | 14 working days | Get Quote |
| 10 mg | 250 USD | 95 | 14 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-6904862787
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5487529107.sdf |
| SMILES | MCULE-5487529107.smiles |
| Standard InChI | MCULE-5487529107.inchi |
| InChIKey | MCULE-5487529107.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867499215 | A2B Chem | Predominantly Building Block on demand | 99 | As is | by synthesis |
| P-890182313 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903310088 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 200 mg |
| P-893457585 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 300 mg |
| P-892192699 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-872726466 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-905469417 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-900265881 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-899782149 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-895188896 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-871077069 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-869129093 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-904247770 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888641540 | TargetMol | Screening Compounds - stock amount | 95 | As is | 598 mg |
| P-855067160 | Toronto Research | In stock | 90 | As is | in stock |
| P-901266977 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-903126467 | Aaron Chemicals LLC | Predominantly Building Block | N/A | Main component | 10 mg |
| P-895097860 | Angene | Building Blocks in stock | N/A | Main component | 10 mg |
| P-895185860 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 482.975 |
| logP | 4.6618 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 64.68 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 143.7169 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
