MCULE-5469691156-0
- 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 | 109 USD | 95 | 19 working days | Get Quote |
5 mg | 109 USD | 95 | 19 working days | Get Quote |
10 mg | 109 USD | 95 | 19 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-5829378381-0
- Component type: Main
-
MCULE-5841148719-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5469691156-0.sdf |
SMILES | MCULE-5469691156-0.smiles |
Standard InChI | MCULE-5469691156-0.inchi |
InChIKey | MCULE-5469691156-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860660040 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-853430332 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851769759 | AmBeed | On request | N/A | As is | by synthesis |
P-489245145 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590956320 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-851300764 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580285551 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-500152150 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
P-854912961 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-854667866 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867535810 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875690952 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-590372272 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-893537685 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 15.75 g |
P-875904248 | AmBeed | In stock | N/A | As a main component | in stock |
P-489119171 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-875893086 | Angene | Building Blocks in stock | 97 | As a main component | 15.75 g |
P-889551757 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-873435946 | BLD pharm | In-stock building blocks | 97 | As a main component | 5.425 g |
P-851288521 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-500152151 | J&W Pharmlab | In-stock compounds | 97 | As a main component | in stock |
P-854760166 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-889875994 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-611399272 | Toronto Research | In stock | 90 | As a main component | in stock |
P-886922190 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 127.188 |
logP | 1.0508 |
H-bond acceptors | 3 |
H-bond donors | 3 |
Rotatable bonds | 1 |
PSA | 61.9 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 41.8568 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |