MCULE-5329313088
- 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 | 35 USD | 98 | 16 working days | Get Quote |
5 mg | 35 USD | 98 | 16 working days | Get Quote |
10 mg | 66 USD | 98 | 16 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-9865437359
- Component type: Main
-
MCULE-9708660367
- Component type: Main
-
MCULE-1686777889
- Component type: Main
-
MCULE-1842716287
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5329313088.sdf |
SMILES | MCULE-5329313088.smiles |
Standard InChI | MCULE-5329313088.inchi |
InChIKey | MCULE-5329313088.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869245926 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610984583 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 60.9 g |
P-864154052 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-851291206 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-675213486 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-500156197 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
P-854719551 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-878645777 | Molnova | Stock | 98 | As is | in stock |
P-491119751 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888627340 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869108341 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-886800481 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-852186122 | A2B Chem | Predominantly Building Block on demand | 85 | As a main component | by synthesis |
P-875753888 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
P-869339319 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-865911914 | Angene | Building Blocks in stock | 98 | As a main component | 55.8 g |
P-580450530 | CliniSciences S.A.S | All products | 99 | As a main component | in stock |
P-674954114 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 449 mg |
P-674941292 | Otava | In-House Stock Library | 90 | As a main component | 449 mg |
P-888627341 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-888627342 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869108342 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-869108343 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-855051041 | Toronto Research | In stock | 90 | As a main component | in stock |
P-855065564 | Toronto Research | In stock | 90 | As a main component | in stock |
P-855052013 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 190.241 |
logP | 2.3834 |
H-bond acceptors | 3 |
H-bond donors | 3 |
Rotatable bonds | 2 |
PSA | 62.04 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.7681 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |