MCULE-9346849489
- 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 | 98 | 20 working days | Get Quote |
5 mg | 33 USD | 98 | 20 working days | Get Quote |
10 mg | 33 USD | 98 | 20 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-9346849489.sdf |
SMILES | MCULE-9346849489.smiles |
Standard InChI | MCULE-9346849489.inchi |
InChIKey | MCULE-9346849489.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867538234 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875693833 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869206293 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610986772 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 338.311 g |
P-606883415 | AmBeed | In stock | N/A | As is | in stock |
P-597002036 | Angene | Building Blocks in stock | 98 | As is | 18.4 g |
P-895953215 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864091764 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-666963488 | BLD pharm | In-stock building blocks | 98 | As is | 6.22 g |
P-851259752 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868648577 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580348242 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862034734 | FluoroChem | General BB | 97 | As is | in stock |
P-890218552 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590340981 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-863614063 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
P-563432195 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-878219158 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-878219157 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-852530736 | Matrix Scientific | All | N/A | As is | in stock |
P-854750491 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888880502 | PharmaBlock | In stock | N/A | As is | in stock |
P-859995024 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873280062 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-611413772 | Toronto Research | In stock | 90 | As is | in stock |
P-893943351 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893947844 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893947845 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 241.287 |
logP | 0.8355 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 61.88 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.4027 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |