MCULE-5769182405-0
- 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 | 33 USD | 90 | 17 working days | Get Quote |
5 mg | 47 USD | 98 | 20 working days | Get Quote |
10 mg | 47 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-5682942023-0
- Component type: Main
-
MCULE-4753496110-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5769182405-0.sdf |
SMILES | MCULE-5769182405-0.smiles |
Standard InChI | MCULE-5769182405-0.inchi |
InChIKey | MCULE-5769182405-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-610962300 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 41.25 g |
P-580245782 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-856052711 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-596936017 | Angene | Building Blocks in stock | 98 | As is | 7.8 g |
P-589654789 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-494302935 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864086446 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-870587020 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861972369 | FluoroChem | General BB | N/A | As is | in stock |
P-488544903 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-885853924 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
P-855939072 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-596578347 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-454399182 | Key Organics | Building Blocks | 95 | As is | 104 mg |
P-454312742 | Key Organics | Screening Compounds and Fragments | 95 | As is | 104 mg |
P-854727258 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-878264002 | PepTech | PepTech Building Blocks | 98 | As is | in stock |
P-888867625 | PharmaBlock | In stock | N/A | As is | in stock |
P-454364315 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-519970734 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885528793 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502330229 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22496250 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 933 mg |
P-3133092 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-575313177 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-886797608 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-24486093 | InterBioScreen | Natural Compounds | 92 | As a main component | 207 mg |
P-445345486 | Pharmeks LLC | Semi-natural compounds | 92 | As a main component | 207 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 205.213 |
logP | 1.2176 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 92.0 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 55.1529 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |