Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8110453150
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 | 12 USD | 97 | 20 working days | Get Quote |
| 5 mg | 12 USD | 97 | 20 working days | Get Quote |
| 10 mg | 12 USD | 97 | 20 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-8110453150.sdf |
| SMILES | MCULE-8110453150.smiles |
| Standard InChI | MCULE-8110453150.inchi |
| InChIKey | MCULE-8110453150.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867549847 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875707471 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597017768 | AEchem | Building blocks | 95 | As is | in stock |
| P-590373801 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881670637 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610970193 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 159.15 g |
| P-580209735 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851953778 | AmBeed | In stock | N/A | As is | in stock |
| P-596991510 | Angene | Building Blocks in stock | 97 | As is | 36 g |
| P-494321843 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864117748 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481168900 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 55 g |
| P-616203917 | BLD pharm | In-stock building blocks | 97 | As is | 6.45 g |
| P-868644052 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889113712 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-890218012 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340444 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-454330162 | Key Organics | Screening Compounds and Fragments | 90 | As is | 253 mg |
| P-580511949 | Manchester Organics | Stock compounds | 95 | As is | 9 g |
| P-852450773 | Matrix Scientific | All | N/A | As is | in stock |
| P-863711040 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-517319470 | Otava | In-House Stock Library | 90 | As is | 2.3 g |
| P-617692366 | Otava | Chemical Building Blocks for Prompt Delivery | 97 | As is | 2.3 g |
| P-859994661 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873281449 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-502360745 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611366167 | Toronto Research | In stock | 90 | As is | in stock |
| P-580077152 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.145 |
| logP | 2.1688 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.5148 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
