MCULE-3004389634-1
- 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 | 45 USD | 90 | 21 working days | Get Quote |
5 mg | 46 USD | 95 | 20 working days | Get Quote |
10 mg | 46 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.
Name | File |
---|---|
SDF | MCULE-3004389634-1.sdf |
SMILES | MCULE-3004389634-1.smiles |
Standard InChI | MCULE-3004389634-1.inchi |
InChIKey | MCULE-3004389634-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867596090 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875754906 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-489106031 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596993093 | Angene | Building Blocks in stock | 95 | As is | 5 g |
P-864160443 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-427959078 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-861339272 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502768728 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12724000 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-615654549 | LabNetwork | In stock | 95 | As is | in stock |
P-601067908 | Life Chemicals | Screening Compounds | 90 | As is | 107 mg |
P-854768917 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492273494 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 547 mg |
P-12311126 | Otava | In-House Stock Library | 90 | As is | 547 mg |
P-23334875 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-855219457 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 245.273 |
logP | 2.3216 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 59.16 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 70.5872 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |