MCULE-6967445093
- 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 | 10 USD | 98 | 14 working days | Get Quote |
5 mg | 10 USD | 98 | 14 working days | Get Quote |
10 mg | 10 USD | 98 | 14 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-6967445093.sdf |
SMILES | MCULE-6967445093.smiles |
Standard InChI | MCULE-6967445093.inchi |
InChIKey | MCULE-6967445093.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867558048 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875717427 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505400233 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903045934 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 75 g |
P-893576706 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 484.5 g |
P-580242803 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-875894853 | Allbio Pharm | In stock | N/A | As is | in stock |
P-606840388 | AmBeed | In stock | N/A | As is | in stock |
P-596944131 | Angene | Building Blocks in stock | 98 | As is | 200 g |
P-494328415 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864103734 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580734245 | BLD pharm | In-stock building blocks | 98 | As is | 43.35 g |
P-851284238 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868605441 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580415453 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-901375213 | FluoroChem | In Stock BB | N/A | As is | 15 g |
P-900954964 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454423457 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-904259604 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-872929700 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852449888 | Matrix Scientific | All | N/A | As is | in stock |
P-867944110 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-889885019 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596788455 | Synthonix | In-stock Building Blocks | 98 | As is | 32.7 g |
P-23215443 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-611413044 | Toronto Research | In stock | 90 | As is | in stock |
P-886945868 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 226.316 |
logP | 4.3393 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 52.04 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 74.2008 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |