MCULE-5594977554
- 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 | 26 USD | 95 | 8 working days | Get Quote |
5 mg | 26 USD | 95 | 8 working days | Get Quote |
10 mg | 26 USD | 95 | 8 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-5594977554.sdf |
SMILES | MCULE-5594977554.smiles |
Standard InChI | MCULE-5594977554.inchi |
InChIKey | MCULE-5594977554.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867627894 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875791377 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590371345 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893445804 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 154.75 g |
P-580201380 | Aldlab Chemicals | Building Block Stock | 95 | As is | 900 mg |
P-893302030 | Allbio Pharm | In stock | N/A | As is | in stock |
P-851944919 | AmBeed | In stock | N/A | As is | in stock |
P-489138975 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865919190 | Angene | Building Blocks in stock | 95 | As is | 154.75 g |
P-889579330 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-851146576 | BLD pharm | In-stock building blocks | 95 | As is | 31.25 g |
P-868586778 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861935340 | FluoroChem | General BB | 98 | As is | in stock |
P-579663072 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-852377091 | Matrix Scientific | All | N/A | As is | in stock |
P-854914341 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888876488 | PharmaBlock | In stock | N/A | As is | in stock |
P-889867587 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23117145 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-611484171 | Toronto Research | In stock | 90 | As is | in stock |
P-580449755 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
P-588731846 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-893992812 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 196.199 |
logP | 1.4904 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 44.76 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 50.7055 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 12 |
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 |