MCULE-6683313473
- 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 | 54 USD | 95 | 11 working days | Get Quote |
5 mg | 103 USD | 98 | 16 working days | Get Quote |
10 mg | 150 USD | 98 | 16 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-3055256110
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6683313473.sdf |
SMILES | MCULE-6683313473.smiles |
Standard InChI | MCULE-6683313473.inchi |
InChIKey | MCULE-6683313473.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867617832 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875779044 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874601885 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-864318661 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-887199897 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-888626372 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-854708118 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-872674854 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878642649 | Molnova | Stock | 98 | As is | in stock |
P-888664809 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869175032 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-868497844 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-867693350 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
P-875873197 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-874639883 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
P-888829560 | Angene | Building Blocks in stock | 98 | As a main component | 5 mg |
P-889796125 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-887189229 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-873250245 | Key Organics | Building Blocks | 97 | As a main component | 1 mg |
P-854712561 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-888628950 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869110802 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-868537074 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 488.538 |
logP | 5.9116 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 8 |
PSA | 146.33 |
RO5 violations | 1 |
RO3 violations | 6 |
Refractivity | 136.5916 |
Atoms | 56 |
Rings | 5 |
Heavy atoms | 35 |
Hydrogen atoms | 21 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |