MCULE-4813130378-1
- 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 | 11 USD | 98 | 20 working days | Get Quote |
5 mg | 11 USD | 98 | 20 working days | Get Quote |
10 mg | 11 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.
-
MCULE-9404328653-0
- Component type: Main
-
MCULE-5487792637-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4813130378-1.sdf |
SMILES | MCULE-4813130378-1.smiles |
Standard InChI | MCULE-4813130378-1.inchi |
InChIKey | MCULE-4813130378-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893110295 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875748110 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-881661627 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-590380451 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-868819598 | AmBeed | In stock | N/A | As a main component | in stock |
P-596989192 | Angene | Building Blocks in stock | 98 | As a main component | 455 g |
P-864198249 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-868955190 | BLD pharm | In-stock building blocks | 98 | As a main component | 137.2 g |
P-868607778 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-596567611 | Key Organics | Building Blocks | 97 | As a main component | 25 g |
P-895292671 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-500385453 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
P-885546140 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-892263418 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892344735 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
P-666975234 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 150.154 |
logP | -0.0786 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 52.16 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 40.3842 |
Atoms | 19 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 8 |
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 |