Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2290869217-0
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 | 16 USD | N/A | 9 working days | Get Quote |
| 5 mg | 32 USD | 98 | 20 working days | Get Quote |
| 10 mg | 58 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-1816360303-0
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2290869217-0.sdf |
| SMILES | MCULE-2290869217-0.smiles |
| Standard InChI | MCULE-2290869217-0.inchi |
| InChIKey | MCULE-2290869217-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889559874 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-867606420 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-590360047 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-505394016 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505399662 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893607524 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 350 mg |
| P-606939495 | AmBeed | In stock | N/A | Main component | in stock |
| P-596961010 | Angene | Building Blocks in stock | 98 | Main component | 250 mg |
| P-580192608 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-868544013 | Axon Medchem | Axon predominantly SC catalog | 98 | Main component | in stock |
| P-893218926 | Biosynth | In Stock | 95 | Main component | in stock |
| P-860798104 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-580425285 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-675216997 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-868079271 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-524166296 | Key Organics | Building Blocks | 95 | Main component | 1 mg |
| P-580489538 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-579709941 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-869160360 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892294556 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888655669 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 195 mg |
| P-480983169 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 565.642 |
| logP | 6.002 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 161.01 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 154.1872 |
| Atoms | 71 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 31 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
