MCULE-3336561334-0
- 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 | 72 USD | 95 | 25 working days | Get Quote |
5 mg | 72 USD | 95 | 25 working days | Get Quote |
10 mg | 72 USD | 95 | 25 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-5848065685-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3336561334-0.sdf |
SMILES | MCULE-3336561334-0.smiles |
Standard InChI | MCULE-3336561334-0.inchi |
InChIKey | MCULE-3336561334-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895394987 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886954477 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867571913 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
P-875732733 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-590364140 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-610976380 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 102.98 g |
P-489237393 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-596975553 | Angene | Building Blocks in stock | 96 | Main component | 20 g |
P-864112055 | AstaTech | In Stock BBs | 96 | Main component | in stock |
P-868648509 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-580439016 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-579637522 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-611476270 | Toronto Research | In stock | 90 | Main component | in stock |
P-615433554 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 189.656 |
logP | 2.7805 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.7467 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |