MCULE-7822691442
- 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 | 23 USD | 98 | 19 working days | Get Quote |
5 mg | 23 USD | 98 | 19 working days | Get Quote |
10 mg | 52 USD | 98 | 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-7822691442.sdf |
SMILES | MCULE-7822691442.smiles |
Standard InChI | MCULE-7822691442.inchi |
InChIKey | MCULE-7822691442.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867585829 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-505396605 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851928254 | AmBeed | In stock | N/A | As is | in stock |
P-596984011 | Angene | Building Blocks in stock | 95 | As is | 1000 mg |
P-580192661 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864159079 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-563429077 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-888846091 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-889866154 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579712868 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869178033 | TargetMol | Natural Products | 95 | As is | 451 mg |
P-611349156 | Toronto Research | In stock | 90 | As is | in stock |
P-868510755 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 272.252 |
logP | 2.4051 |
H-bond acceptors | 5 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 97.99 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 74.3405 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |