Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3578246585
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 | 39 USD | 95 | 11 working days | Get Quote |
| 5 mg | 73 USD | 98 | 22 working days | Get Quote |
| 10 mg | 120 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3578246585.sdf |
| SMILES | MCULE-3578246585.smiles |
| Standard InChI | MCULE-3578246585.inchi |
| InChIKey | MCULE-3578246585.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558982 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875718834 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869331729 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851941197 | AmBeed | In stock | N/A | As is | in stock |
| P-865907000 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
| P-872726233 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889592977 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-615697713 | BLD pharm | In-stock building blocks | 98 | As is | 6 mg |
| P-608497504 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-855918715 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854714043 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584622121 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888173506 | Molnova | On demand | 98 | As is | by synthesis |
| P-888634943 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869120112 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855066409 | Toronto Research | In stock | 90 | As is | in stock |
| P-868513782 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 486.522 |
| logP | 3.33548 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 134.8 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 136.8424 |
| Atoms | 62 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 26 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
