Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5439491465
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 | N/A | 10 working days | Get Quote |
| 5 mg | 7 USD | N/A | 10 working days | Get Quote |
| 10 mg | 7 USD | N/A | 10 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.
-
MCULE-9845647347
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5439491465.sdf |
| SMILES | MCULE-5439491465.smiles |
| Standard InChI | MCULE-5439491465.inchi |
| InChIKey | MCULE-5439491465.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872827836 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-867645482 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875758009 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-875812007 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874623258 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-872713426 | AmBeed | In stock | N/A | As is | in stock |
| P-489143031 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-873296270 | Angene | Building Blocks in stock | 98 | As is | 85 g |
| P-873291837 | Angene | Building Blocks in stock | 95 | As is | 4.4 g |
| P-889780484 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890214573 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590337000 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-524196545 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-524194924 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-855997008 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-611579238 | Toronto Research | In stock | 90 | As is | in stock |
| P-886916531 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867617709 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-889918080 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-851763515 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-864269461 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-590936112 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-861351398 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-855982991 | Key Organics | Building Blocks | 97 | As a main component | 100 mg |
| P-885535012 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-611469268 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-480264009 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 142.242 |
| logP | 1.5182 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.0594 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
