Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5519958446
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 | 145 USD | 98 | 22 working days | Get Quote |
| 5 mg | 145 USD | 98 | 22 working days | Get Quote |
| 10 mg | 145 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-5519958446.sdf |
| SMILES | MCULE-5519958446.smiles |
| Standard InChI | MCULE-5519958446.inchi |
| InChIKey | MCULE-5519958446.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872836390 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875849821 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869307346 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893496444 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.55 g |
| P-881616232 | AmBeed | In stock | N/A | As is | in stock |
| P-873298907 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-869388950 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890245901 | BLD pharm | In-stock building blocks | 98 | As is | 1.165 g |
| P-861478376 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-890214289 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590336716 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-878215818 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-878218835 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-889737317 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-895469135 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888888501 | PharmaBlock | In stock | N/A | As is | in stock |
| P-859992251 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611523905 | Toronto Research | In stock | 90 | As is | in stock |
| P-893979267 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893943598 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893879733 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893948729 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893761382 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893729262 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 130.142 |
| logP | 0.232 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.7756 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
