Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2056735085-0
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 | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 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.
-
1
MCULE-1997278353-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2056735085-0.sdf |
| SMILES | MCULE-2056735085-0.smiles |
| Standard InChI | MCULE-2056735085-0.inchi |
| InChIKey | MCULE-2056735085-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852192500 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-855346553 | Toronto Research | In stock | 90 | As is | in stock |
| P-867661572 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-875830530 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-881672696 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-505393831 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-606867438 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489187744 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-596972800 | Angene | Building Blocks in stock | 97 | Main component as a main component | 5 kg |
| P-579787942 | Apollo Scientific | In Stock | 95 | Main component as a main component | 30 g |
| P-864185165 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-580699677 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 1.83 kg |
| P-893232155 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-896545214 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-862031933 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-608220491 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-524166223 | Key Organics | Building Blocks | 98 | Main component as a main component | 100 g |
| P-855993029 | Key Organics | Screening Compounds and Fragments | 98 | Main component as a main component | 100 mg |
| P-901144953 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-852467439 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-863736357 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-500398958 | Pi Chemicals | Virtual Compounds | 98 | Main component as a main component | by synthesis |
| P-885545934 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-596787328 | Synthonix | In-stock Building Blocks | 97 | Main component as a main component | 15.55 kg |
| P-611382463 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-575293890 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 225.218 |
| logP | 1.2405 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 55.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.5152 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
