MCULE-5743902605-0
- 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 | 29 USD | 95 | 19 working days | Get Quote |
5 mg | 29 USD | 95 | 19 working days | Get Quote |
10 mg | 29 USD | 95 | 19 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.
-
1
MCULE-2056045175-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5743902605-0.sdf |
SMILES | MCULE-5743902605-0.smiles |
Standard InChI | MCULE-5743902605-0.inchi |
InChIKey | MCULE-5743902605-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867571991 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875732168 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590417685 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881670796 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-875902950 | AmBeed | On request | N/A | As is | by synthesis |
P-596987661 | Angene | Building Blocks in stock | 98 | As is | 23 g |
P-864168547 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-893228101 | Biosynth | In Stock | 95 | As is | in stock |
P-505491170 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-488543856 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24485131 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-454363781 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13569983 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-500406119 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-502328514 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611482850 | Toronto Research | In stock | 90 | As is | in stock |
P-612893592 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-590375482 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-872944116 | AmBeed | On request | N/A | Main component | by synthesis |
P-896032334 | AstaTech | Backordered BBs | 98 | Main component | by synthesis |
P-580306307 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-488545161 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
P-427913865 | InterBioScreen | Natural Compounds | 92 | Main component | 300 mg |
P-454365402 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
P-13888579 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | 300 mg |
P-886945474 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 273.711 |
logP | 1.9335 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 67.79 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 72.3115 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |