MCULE-5939301963
- 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 | 19 USD | 95 | 14 working days | Get Quote |
5 mg | 19 USD | 95 | 14 working days | Get Quote |
10 mg | 19 USD | 95 | 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-5939301963.sdf |
SMILES | MCULE-5939301963.smiles |
Standard InChI | MCULE-5939301963.inchi |
InChIKey | MCULE-5939301963.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867623220 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875786063 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-893586481 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.06665 kg |
P-580220834 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606859439 | AmBeed | In stock | N/A | As is | in stock |
P-596994972 | Angene | Building Blocks in stock | 97 | As is | 1000 g |
P-864120932 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591021600 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861493836 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862096932 | FluoroChem | General BB | 95 | As is | in stock |
P-890217127 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590339556 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-502546909 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596572417 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-615646042 | LabNetwork | In stock | 95 | As is | in stock |
P-852568571 | Matrix Scientific | All | N/A | As is | in stock |
P-895221395 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-492274430 | Otava | Chemical Building Blocks for Prompt Delivery | 99 | As is | 1.139 g |
P-12391486 | Otava | In-House Stock Library | 90 | As is | 1.139 g |
P-611581202 | Toronto Research | In stock | 90 | As is | in stock |
P-893770431 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-580078155 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 182.191 |
logP | 2.0889 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.5588 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |