Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1086101121
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 | 42 USD | 98 | 16 working days | Get Quote |
| 5 mg | 42 USD | 98 | 16 working days | Get Quote |
| 10 mg | 42 USD | 95 | 17 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-1086101121.sdf |
| SMILES | MCULE-1086101121.smiles |
| Standard InChI | MCULE-1086101121.inchi |
| InChIKey | MCULE-1086101121.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867576544 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875736553 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590412583 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851751537 | AmBeed | On request | N/A | As is | by synthesis |
| P-596988138 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-494305395 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864323511 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590933967 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-4197592 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-868614240 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862112760 | FluoroChem | General BB | N/A | As is | in stock |
| P-596564954 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-14819404 | Life Chemicals | Screening Compounds | 90 | As is | 34.703 g |
| P-468070626 | Life Chemicals | Building Blocks | 95 | As is | 34.703 g |
| P-852509846 | Matrix Scientific | All | N/A | As is | in stock |
| P-854716836 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-608276208 | Molnova | Stock | 98 | As is | in stock |
| P-500400011 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885547102 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617403205 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888632989 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869117835 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611376210 | Toronto Research | In stock | 90 | As is | in stock |
| P-666974134 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.100 |
| logP | 0.8563 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 113.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.0734 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
