MCULE-3593242171
- 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 | 7 USD | 75 | 20 working days | Get Quote |
5 mg | 7 USD | 75 | 20 working days | Get Quote |
10 mg | 7 USD | 75 | 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-3593242171.sdf |
SMILES | MCULE-3593242171.smiles |
Standard InChI | MCULE-3593242171.inchi |
InChIKey | MCULE-3593242171.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867675464 | A2B Chem | Predominantly Building Block in stock | 75 | As is | in stock |
P-875851733 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869259554 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-875894571 | Allbio Pharm | In stock | N/A | As is | in stock |
P-606857743 | AmBeed | In stock | N/A | As is | in stock |
P-865930166 | Angene | Building Blocks in stock | 75 | As is | 100 g |
P-864206240 | AstaTech | In Stock BBs | 75 | As is | in stock |
P-893236914 | Biosynth | In Stock | 95 | As is | in stock |
P-873242015 | Key Organics | Building Blocks | 90 | As is | 5 g |
P-579617842 | LabSeeker, Inc | Stock Collection | 50 | As is | in stock |
P-896629991 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854692624 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-584625187 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888172363 | Molnova | On demand | 98 | As is | by synthesis |
P-889868622 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892274940 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869178591 | TargetMol | Natural Products | 95 | As is | in stock |
P-892299592 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892351291 | TargetMol | Screening Compounds - stock amount | 95 | As is | 53 mg |
P-23113348 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-855064655 | Toronto Research | In stock | 90 | As is | in stock |
P-615413331 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 136.234 |
logP | 2.9987 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 45.222 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 16 |
Heteroatoms | 0 |
N/O atoms | 0 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |