MCULE-8204517595
- 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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 75 USD | 90 | 21 working days | Get Quote |
10 mg | 85 USD | 95 | 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.
-
1
MCULE-1912002365
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8204517595.sdf |
SMILES | MCULE-8204517595.smiles |
Standard InChI | MCULE-8204517595.inchi |
InChIKey | MCULE-8204517595.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872837537 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875856798 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-867719481 | AmBeed | In stock | N/A | As is | in stock |
P-892192676 | Angene | Building Blocks in stock | 95 | As is | 3.75 g |
P-869392996 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-861317094 | BLD pharm | In-stock building blocks | 95 | As is | 1.35 g |
P-889733294 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-895644596 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886911303 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-851591746 | AmBeed | On request | N/A | Main component | by synthesis |
P-611078493 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-872522445 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-12389860 | Otava | In-House Stock Library | 90 | Main component | 15 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 213.702 |
logP | 3.0327 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 64.0477 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |