MCULE-8573336707
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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.
Name | File |
---|---|
SDF | MCULE-8573336707.sdf |
SMILES | MCULE-8573336707.smiles |
Standard InChI | MCULE-8573336707.inchi |
InChIKey | MCULE-8573336707.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886606751 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875791911 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-612939064 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893526056 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 65.66 g |
P-872714043 | AmBeed | In stock | N/A | As is | in stock |
P-873294597 | Angene | Building Blocks in stock | 98 | As is | 4 g |
P-596518931 | Asinex | General bb catalog | 90 | As is | 39 mg |
P-596472896 | Asinex | General screening catalog | 90 | As is | 39 mg |
P-873287521 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-872718071 | BLD pharm | In-stock building blocks | 98 | As is | 1.9 g |
P-893619018 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889314419 | FluoroChem | General BB | 98 | As is | in stock |
P-891320355 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596593329 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-588250724 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852387573 | Matrix Scientific | All | N/A | As is | in stock |
P-895224577 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-424881972 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885528026 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502334502 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611590110 | Toronto Research | In stock | 90 | As is | in stock |
P-25559307 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.374 g |
P-464680638 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.374 g |
P-886902370 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 194.226 |
logP | 2.0208 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.2518 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |