MCULE-2290869217
- 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 |
- 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
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2290869217.sdf |
SMILES | MCULE-2290869217.smiles |
Standard InChI | MCULE-2290869217.inchi |
InChIKey | MCULE-2290869217.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 |