MCULE-7214778823
- 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 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 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.
Name | File |
---|---|
SDF | MCULE-7214778823.sdf |
SMILES | MCULE-7214778823.smiles |
Standard InChI | MCULE-7214778823.inchi |
InChIKey | MCULE-7214778823.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867619513 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-869246099 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893618298 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 850 mg |
P-891645603 | AmBeed | In stock | N/A | As is | in stock |
P-873293526 | Angene | Building Blocks in stock | 97 | As is | 350 mg |
P-872725487 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-896028892 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-4259197 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-873249333 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-856069411 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 9 g |
P-19064670 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-869127943 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892291575 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888640843 | TargetMol | Screening Compounds - stock amount | 95 | As is | 101 mg |
P-855066144 | Toronto Research | In stock | 90 | As is | in stock |
P-765809 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 63 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 488.444 |
logP | 4.5758 |
H-bond acceptors | 10 |
H-bond donors | 4 |
Rotatable bonds | 12 |
PSA | 151.26 |
RO5 violations | 0 |
RO3 violations | 6 |
Refractivity | 129.923 |
Atoms | 56 |
Rings | 3 |
Heavy atoms | 36 |
Hydrogen atoms | 20 |
Heteroatoms | 10 |
N/O atoms | 10 |
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 | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 2 |
Undefined stereo double bonds | 0 |