MCULE-7524044823
- 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 | 72 USD | N/A | 14 working days | Get Quote |
5 mg | 72 USD | N/A | 14 working days | Get Quote |
10 mg | 72 USD | N/A | 14 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-6421013214
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7524044823.sdf |
SMILES | MCULE-7524044823.smiles |
Standard InChI | MCULE-7524044823.inchi |
InChIKey | MCULE-7524044823.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872842724 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890191242 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851938053 | AmBeed | In stock | N/A | As is | in stock |
P-888832568 | Angene | Building Blocks in stock | 95 | As is | 5 g |
P-889581856 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-851031448 | BLD pharm | In-stock building blocks | 95 | As is | unavailable |
P-889729622 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-895551756 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886914099 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-892874708 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-889983840 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-869211822 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851702623 | AmBeed | On request | N/A | Main component | by synthesis |
P-611180436 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-854796580 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-611439897 | Toronto Research | In stock | 90 | Main component | in stock |
P-893813039 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 188.657 |
logP | 1.3815 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 42.74 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 52.3977 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |