MCULE-8031455776-0
- 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 | 59 USD | N/A | 14 working days | Get Quote |
5 mg | 59 USD | N/A | 14 working days | Get Quote |
10 mg | 59 USD | N/A | 14 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-8031455776-0.sdf |
SMILES | MCULE-8031455776-0.smiles |
Standard InChI | MCULE-8031455776-0.inchi |
InChIKey | MCULE-8031455776-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886581295 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-889913182 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-590384822 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606935527 | AmBeed | In stock | N/A | As is | in stock |
P-895095963 | Angene | Building Blocks in stock | 98 | As is | 15 g |
P-896023679 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-892413780 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-868566158 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862029492 | FluoroChem | General BB | 95 | As is | in stock |
P-563525964 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-580506786 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854831505 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611396709 | Toronto Research | In stock | 90 | As is | in stock |
P-893856815 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 254.123 |
logP | 3.031 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 20.31 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 63.791 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |