Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5411643658
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 | 78 USD | 95 | 34 working days | Get Quote |
| 5 mg | 78 USD | 95 | 34 working days | Get Quote |
| 10 mg | 78 USD | 95 | 34 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.
-
1
MCULE-1573805383
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5411643658.sdf |
| SMILES | MCULE-5411643658.smiles |
| Standard InChI | MCULE-5411643658.inchi |
| InChIKey | MCULE-5411643658.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875844668 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853425919 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610976164 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 84.6 g |
| P-851839310 | AmBeed | On request | N/A | As is | by synthesis |
| P-892490512 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-591111554 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901551679 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-616227728 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-5822045 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-861372259 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-855952044 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852420948 | Matrix Scientific | All | N/A | As is | in stock |
| P-854930208 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855301152 | Toronto Research | In stock | 90 | As is | in stock |
| P-893668396 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-890165713 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-851585284 | AmBeed | On request | N/A | Main component | by synthesis |
| P-873297557 | Angene | Building Blocks in stock | 97 | Main component | 25 g |
| P-889773734 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-868554499 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580409933 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-881675209 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | Main component | by resynthesis (? - ? days) |
| P-861948760 | FluoroChem | General BB | N/A | Main component | in stock |
| P-454304312 | Key Organics | Screening Compounds and Fragments | 90 | Main component | unavailable |
| P-852469456 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854924569 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-519969648 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-502399202 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611471532 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886898436 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-612934952 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-852384436 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 277.230 |
| logP | 3.8032 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 81.6787 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
