MCULE-7479131804-1
- 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 | N/A | 9 working days | Get Quote |
5 mg | 20 USD | N/A | 9 working days | Get Quote |
10 mg | 20 USD | N/A | 9 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-7479131804-1.sdf |
SMILES | MCULE-7479131804-1.smiles |
Standard InChI | MCULE-7479131804-1.inchi |
InChIKey | MCULE-7479131804-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875799875 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590392133 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610977649 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 37.65 g |
P-606847137 | AmBeed | In stock | N/A | As is | in stock |
P-489175595 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865920809 | Angene | Building Blocks in stock | 95 | As is | 15 g |
P-864103832 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-675652168 | BLD pharm | In-stock building blocks | 95 | As is | unavailable |
P-851264652 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-872748871 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580422130 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861986367 | FluoroChem | General BB | 95 | As is | in stock |
P-454404123 | Key Organics | Building Blocks | 95 | As is | 500 mg |
P-580485224 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852440461 | Matrix Scientific | All | N/A | As is | in stock |
P-854791336 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888876975 | PharmaBlock | In stock | N/A | As is | in stock |
P-502372596 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611474914 | Toronto Research | In stock | 90 | As is | in stock |
P-588804004 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-893965421 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 234.294 |
logP | 1.008 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 43.78 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.9103 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |