MCULE-4085497176
- 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 | 95 | 22 working days | Get Quote |
5 mg | 10 USD | 95 | 22 working days | Get Quote |
10 mg | 10 USD | 95 | 22 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-9741570389
- Component type: Main
-
MCULE-6091263016
- Component type: Main
-
MCULE-8823740938
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4085497176.sdf |
SMILES | MCULE-4085497176.smiles |
Standard InChI | MCULE-4085497176.inchi |
InChIKey | MCULE-4085497176.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852190049 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893525169 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 78 g |
P-864115347 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-4373127 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-851258485 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861285140 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-580441206 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-505545289 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-852530167 | Matrix Scientific | All | N/A | As is | in stock |
P-579714680 | Paragos | In-stock compounds | N/A | As is | in stock |
P-612818562 | A2B Chem | Predominantly Building Block on demand | 97 | As a main component | by synthesis |
P-875733969 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-580239792 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
P-489209479 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-889444218 | AstaTech | Backordered BBs | 97 | As a main component | by synthesis |
P-864113680 | AstaTech | In Stock BBs | 97 | As a main component | in stock |
P-893239883 | Biosynth | In Stock | 95 | As a main component | in stock |
P-893223009 | Biosynth | In Stock | 95 | As a main component | in stock |
P-505578393 | Bosche Scientific | Bosche Products | 98 | As a main component | in stock |
P-878235965 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-580433538 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
P-580386359 | Debye Scientific | General Catalog | N/A | As a main component | by resynthesis (? - ? days) |
P-869382474 | Manchester Organics | Compounds on demand | N/A | As a main component | by synthesis |
P-852442061 | Matrix Scientific | All | N/A | As a main component | in stock |
P-864076575 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-675076682 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-611474913 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893937375 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 190.284 |
logP | 1.3098 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 6.48 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 66.951 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 14 |
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 |