MCULE-2730697186-0
- 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 | 113 USD | 97 | 17 working days | Get Quote |
5 mg | 113 USD | 97 | 17 working days | Get Quote |
10 mg | 113 USD | 97 | 17 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-2730697186-0.sdf |
SMILES | MCULE-2730697186-0.smiles |
Standard InChI | MCULE-2730697186-0.inchi |
InChIKey | MCULE-2730697186-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867601576 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875758644 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-853432238 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893595833 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 229.25 g |
P-851883330 | AmBeed | On request | N/A | As is | by synthesis |
P-489167965 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596993273 | Angene | Building Blocks in stock | 95 | As is | 5 g |
P-864109657 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591040880 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861488666 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580404133 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862023353 | FluoroChem | General BB | 95 | As is | in stock |
P-505542260 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-563390363 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-615656403 | LabNetwork | In stock | 95 | As is | in stock |
P-35158037 | Maybridge | Screening Collection | 97 | As is | unavailable |
P-519760972 | Maybridge | Maybridge Building Blocks | 97 | As is | 50.7 g |
P-854924250 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-896079899 | Specs | Repurposed Compounds | N/A | As is | 10.717 g |
P-23117403 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-502405548 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611421083 | Toronto Research | In stock | 90 | As is | in stock |
P-893938276 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 238.196 |
logP | 1.936 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 101.22 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 60.8562 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 10 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |