MCULE-1948703577-0
- 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 | 77 USD | 95 | 9 working days | Get Quote |
5 mg | 115 USD | N/A | 9 working days | Get Quote |
10 mg | 117 USD | 99 | 15 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-7601911172-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1948703577-0.sdf |
SMILES | MCULE-1948703577-0.smiles |
Standard InChI | MCULE-1948703577-0.inchi |
InChIKey | MCULE-1948703577-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867593023 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875751962 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894668030 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893605015 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
P-892509197 | AmBeed | In stock | N/A | As is | in stock |
P-895095074 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
P-864303047 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-892412009 | BLD pharm | In-stock building blocks | 99 | As is | 135 mg |
P-887187201 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854711725 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888171249 | Molnova | On demand | 98 | As is | by synthesis |
P-869109286 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892287196 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888627964 | TargetMol | Screening Compounds - stock amount | 95 | As is | 4.825 g |
P-855071192 | Toronto Research | In stock | 90 | As is | in stock |
P-893675059 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-854703569 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
P-869109287 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-888627965 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 429.470 |
logP | 4.71908 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 94.22 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 122.2137 |
Atoms | 55 |
Rings | 4 |
Heavy atoms | 32 |
Hydrogen atoms | 23 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |