Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1895914136
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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 USD | 98 | 16 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-8089467137
- Component type: Main
-
MCULE-9755862715
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1895914136.sdf |
| SMILES | MCULE-1895914136.smiles |
| Standard InChI | MCULE-1895914136.inchi |
| InChIKey | MCULE-1895914136.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867589559 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875749163 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-590380882 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-851954691 | AmBeed | In stock | N/A | As a main component | in stock |
| P-489117952 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-596984608 | Angene | Building Blocks in stock | 99 | As a main component | 75 g |
| P-864188384 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-868604180 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-870662918 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-890852296 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-890849519 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-855934150 | Key Organics | Building Blocks | 97 | As a main component | in stock |
| P-856043926 | LaboTest | Building Blocks | 90 | As a main component | 10 g |
| P-31274799 | LaboTest | Screening Collection | 90 | As a main component | 10 g |
| P-852465652 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-872677058 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-881190231 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
| P-889865945 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-888639419 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869125957 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-855314695 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855104269 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-854967596 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-666976615 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 332.586 |
| logP | 6.9641 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 15 |
| PSA | 0.0 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 110.6944 |
| Atoms | 66 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 42 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
