MCULE-6488577484
- 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 | 13 USD | 98 | 16 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-6488577484.sdf |
SMILES | MCULE-6488577484.smiles |
Standard InChI | MCULE-6488577484.inchi |
InChIKey | MCULE-6488577484.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875720863 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-860056075 | AvaChem Scientific | All products | 98 | As is | by synthesis |
P-881633893 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-861371750 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479316 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-854712721 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474023090 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608274745 | Molnova | Stock | 98 | As is | in stock |
P-867561054 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
P-590360123 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
P-19994972 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
P-606921240 | AmBeed | In stock | N/A | As an isomer | in stock |
P-596945147 | Angene | Building Blocks in stock | 98 | As an isomer | 250 mg |
P-580192479 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
P-864139832 | AstaTech | In Stock BBs | 97 | As an isomer | in stock |
P-4169794 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 100 mg |
P-851278850 | Chemshuttle | On request catalog | 95 | As an isomer | by synthesis |
P-860799037 | Chiralstar | Chiralstar Building Blocks | 98 | As an isomer | in stock |
P-34566351 | Crea-Chim | HTS compounds | 90 | As an isomer | by resynthesis (? - ? days) |
P-675216016 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
P-596582515 | Key Organics | Building Blocks | 97 | As an isomer | 10 mg |
P-500411002 | Pi Chemicals | Virtual Compounds | 95 | As an isomer | by synthesis |
P-34122525 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-579712878 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
P-888637287 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
P-869123066 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
P-22481804 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 38 mg |
P-435379 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 1.525 g |
P-480868945 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 322.314 |
logP | 3.1114 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 4 |
PSA | 102.15 |
RO5 violations | 0 |
RO3 violations | 6 |
Refractivity | 91.1852 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |