Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9631420533
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 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-9631420533.sdf |
| SMILES | MCULE-9631420533.smiles |
| Standard InChI | MCULE-9631420533.inchi |
| InChIKey | MCULE-9631420533.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867564358 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875723720 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590369847 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893578959 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.30289 kg |
| P-606883705 | AmBeed | In stock | N/A | As is | in stock |
| P-851930694 | AmBeed | In stock | N/A | As is | in stock |
| P-489107702 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596946363 | Angene | Building Blocks in stock | 98 | As is | 1.297 kg |
| P-895922822 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864124425 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-590611121 | BLD pharm | In-stock building blocks | 98 | As is | 26 g |
| P-868580386 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580304863 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862030503 | FluoroChem | General BB | 95 | As is | in stock |
| P-494299897 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-596562609 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-852466634 | Matrix Scientific | All | N/A | As is | in stock |
| P-872795687 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500384459 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19536696 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22824034 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502332031 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611378119 | Toronto Research | In stock | 90 | As is | in stock |
| P-1273244 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 222 mg |
| P-667024029 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.424 |
| logP | 5.7749 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 20.23 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 106.775 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 20 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
