MCULE-6973276473-0
- 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 | 14 USD | 98 | 20 working days | Get Quote |
5 mg | 14 USD | 98 | 20 working days | Get Quote |
10 mg | 14 USD | 98 | 20 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-6973276473-0.sdf |
SMILES | MCULE-6973276473-0.smiles |
Standard InChI | MCULE-6973276473-0.inchi |
InChIKey | MCULE-6973276473-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867591158 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-590358906 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893578615 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.18536 kg |
P-851927300 | AmBeed | In stock | N/A | As is | in stock |
P-596989332 | Angene | Building Blocks in stock | 98 | As is | 250 g |
P-494329313 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864188291 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893238578 | Biosynth | In Stock | 95 | As is | in stock |
P-580404998 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862031874 | FluoroChem | General BB | 95 | As is | in stock |
P-887362493 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596570428 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-31179401 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-856044052 | LaboTest | Building Blocks | 90 | As is | 1000 mg |
P-500397221 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885533406 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892261507 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892342930 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-502371725 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611484240 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 238.236 |
logP | 1.8102 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 64.99 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 62.5878 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 14 |
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 |