Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6122494584
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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 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.
| Name | File |
|---|---|
| SDF | MCULE-6122494584.sdf |
| SMILES | MCULE-6122494584.smiles |
| Standard InChI | MCULE-6122494584.inchi |
| InChIKey | MCULE-6122494584.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867637552 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875802810 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-892794474 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893551878 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 49.65 g |
| P-851932572 | AmBeed | In stock | N/A | As is | in stock |
| P-489166876 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865921286 | Angene | Building Blocks in stock | 97 | As is | 17 g |
| P-895922920 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864211388 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-674400657 | BLD pharm | In-stock building blocks | 97 | As is | 5.8 g |
| P-887223874 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889309579 | FluoroChem | General BB | 97 | As is | in stock |
| P-503900696 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-855986402 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-855400238 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-641769717 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-888896507 | PharmaBlock | In stock | N/A | As is | in stock |
| P-873284197 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-893992048 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.728 |
| logP | 3.9823 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 77.1242 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
