MCULE-5315320122-0
- 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 | 10 USD | 97 | 20 working days | Get Quote |
5 mg | 10 USD | 97 | 20 working days | Get Quote |
10 mg | 10 USD | 97 | 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-5315320122-0.sdf |
SMILES | MCULE-5315320122-0.smiles |
Standard InChI | MCULE-5315320122-0.inchi |
InChIKey | MCULE-5315320122-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875828715 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869262037 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893505642 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 92.414 g |
P-866096769 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 28 g |
P-851930486 | AmBeed | In stock | N/A | As is | in stock |
P-619197684 | Angene | Building Blocks in stock | 97 | As is | 45.5 g |
P-494417000 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864187439 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-868620428 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580327118 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861984557 | FluoroChem | General BB | 95 | As is | in stock |
P-890217103 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590339533 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-454341245 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-852427117 | Matrix Scientific | All | N/A | As is | in stock |
P-35288283 | Maybridge | Screening Collection | 90 | As is | 527 g |
P-854755210 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888893675 | PharmaBlock | In stock | N/A | As is | in stock |
P-859994084 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502395398 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611433181 | Toronto Research | In stock | 90 | As is | in stock |
P-615459194 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 182.220 |
logP | 1.6447 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 49.7183 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |