MCULE-5476569550
- 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 | 5 USD | 98 | 9 working days | Get Quote |
5 mg | 5 USD | 98 | 9 working days | Get Quote |
10 mg | 5 USD | 98 | 9 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-8442047802
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5476569550.sdf |
SMILES | MCULE-5476569550.smiles |
Standard InChI | MCULE-5476569550.inchi |
InChIKey | MCULE-5476569550.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875827538 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-597026938 | AEchem | Building blocks | 97 | As is | in stock |
P-608393892 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-580698932 | BLD pharm | In-stock building blocks | 99 | As is | 62.5 g |
P-868592831 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-579476969 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-852466690 | Matrix Scientific | All | N/A | As is | in stock |
P-854692491 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-875690067 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-875829878 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-489197326 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-675187391 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | Main component | 41 mg |
P-500413585 | AvaChem Scientific | All products | 99 | Main component | by synthesis |
P-580697863 | BLD pharm | In-stock building blocks | 98 | Main component | 4.905 kg |
P-580707300 | BLD pharm | In-stock building blocks | 98 | Main component | 460 g |
P-871220309 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
P-452652861 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
P-452657647 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
P-851247160 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868591194 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
P-579476444 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-852431530 | Matrix Scientific | All | N/A | Main component | in stock |
P-854690800 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-869096929 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-474023411 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-888169142 | Molnova | On demand | 98 | Main component | by synthesis |
P-619673330 | Molnova | Stock | 98 | Main component | in stock |
P-579713875 | Paragos | In-stock compounds | N/A | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 216.165 |
logP | 0.1639 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 69.59 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 49.6845 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 9 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |