Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1290227616-0
Structure
Show compound
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 | 26 USD | N/A | 9 working days | Get Quote |
| 5 mg | 75 USD | N/A | 9 working days | Get Quote |
| 10 mg | 112 USD | N/A | 9 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-4777413235-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1290227616-0.sdf |
| SMILES | MCULE-1290227616-0.smiles |
| Standard InChI | MCULE-1290227616-0.inchi |
| InChIKey | MCULE-1290227616-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893112146 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867620035 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-595215067 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851466064 | AmBeed | On request | N/A | As is | by synthesis |
| P-895098019 | Angene | Building Blocks in stock | N/A | As is | 25 mg |
| P-580192902 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-872722897 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889497961 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-873251017 | Key Organics | Building Blocks | 95 | As is | 5 mg |
| P-869111646 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888629512 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-893662724 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-853429630 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893584246 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 516 mg |
| P-851937384 | AmBeed | In stock | N/A | Main component | in stock |
| P-619136899 | Angene | Building Blocks in stock | 98 | Main component | 100 mg |
| P-872722894 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-864193682 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-855917089 | Key Organics | Building Blocks | 97 | Main component | 100 mg |
| P-878642593 | Molnova | Stock | 98 | Main component | in stock |
| P-885558847 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-851485754 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-872722895 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-869111647 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-888629513 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 565.747 |
| logP | 7.195 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 143.55 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 161.1896 |
| Atoms | 74 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 35 |
| Heteroatoms | 8 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
