MCULE-5211071344-2
- 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 | 20 USD | 98 | 20 working days | Get Quote |
5 mg | 20 USD | 98 | 20 working days | Get Quote |
10 mg | 20 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-1751251413-0
- Component type: Main
-
MCULE-7693624110-0
- Component type: Main
-
MCULE-5671555647-2
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5211071344-2.sdf |
SMILES | MCULE-5211071344-2.smiles |
Standard InChI | MCULE-5211071344-2.inchi |
InChIKey | MCULE-5211071344-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580195292 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-872723215 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-851262500 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861428359 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-852545762 | Matrix Scientific | All | N/A | As is | in stock |
P-500395249 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-889875821 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892286188 | TargetMol | In Stock BB | 95 | As is | 1000 mg |
P-886719562 | A2B Chem | Predominantly Building Block in stock | N/A | As a main component | in stock |
P-505353305 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
P-869218432 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-489191857 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-851150927 | Angene | Building Blocks in stock | 98 | As a main component | 2 g |
P-864139403 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-851310202 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-868592272 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-870653067 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
P-675214362 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-895200128 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
P-888170541 | Molnova | On demand | 98 | As a main component | by synthesis |
P-500403954 | Pi Chemicals | Virtual Compounds | N/A | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 488.605 |
logP | 3.027 |
H-bond acceptors | 10 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 121.28 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 138.5257 |
Atoms | 66 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 32 |
Heteroatoms | 11 |
N/O atoms | 10 |
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 |