Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5584412846
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 | 20 USD | 95 | 22 working days | Get Quote |
| 5 mg | 20 USD | 95 | 22 working days | Get Quote |
| 10 mg | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-5584412846.sdf |
| SMILES | MCULE-5584412846.smiles |
| Standard InChI | MCULE-5584412846.inchi |
| InChIKey | MCULE-5584412846.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867592746 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875751611 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590362104 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893478713 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 44.5 g |
| P-606842365 | AmBeed | In stock | N/A | As is | in stock |
| P-489110369 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596956290 | Angene | Building Blocks in stock | 95 | As is | 5.25 g |
| P-579785635 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864161966 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590626797 | BLD pharm | In-stock building blocks | 95 | As is | 1000 mg |
| P-868581425 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580422233 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862028888 | FluoroChem | General BB | 95 | As is | in stock |
| P-454402754 | Key Organics | Building Blocks | 95 | As is | 31.821 g |
| P-18812260 | Key Organics | Screening Compounds and Fragments | 95 | As is | 31.821 g |
| P-852415899 | Matrix Scientific | All | N/A | As is | in stock |
| P-854801872 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888897808 | PharmaBlock | In stock | N/A | As is | in stock |
| P-502372642 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611588251 | Toronto Research | In stock | 90 | As is | in stock |
| P-615399051 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.269 |
| logP | 2.2342 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 62.0188 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
