MCULE-1659746677
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 42 USD | 98 | 20 working days | Get Quote |
10 mg | 42 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-1659746677.sdf |
SMILES | MCULE-1659746677.smiles |
Standard InChI | MCULE-1659746677.inchi |
InChIKey | MCULE-1659746677.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867626133 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875789130 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-613847776 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-888307758 | AmBeed | In stock | N/A | As is | in stock |
P-873294401 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
P-872868265 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-590892015 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861340665 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868658137 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-870652585 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
P-488556083 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-524442430 | Key Organics | Biochemicals | 97 | As is | 86 mg |
P-31194681 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-854717162 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-608275000 | Molnova | Stock | 98 | As is | in stock |
P-520050109 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888626774 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869107740 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-1945052 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 310 mg |
P-868531273 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 335.337 |
logP | 2.5741 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 121.12 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 84.7565 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 13 |
Heteroatoms | 9 |
N/O atoms | 8 |
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 |