MCULE-5136762309-0
- 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 | 13 USD | 97 | 11 working days | Get Quote |
5 mg | 13 USD | 97 | 11 working days | Get Quote |
10 mg | 13 USD | 97 | 11 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-5769724060-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5136762309-0.sdf |
SMILES | MCULE-5136762309-0.smiles |
Standard InChI | MCULE-5136762309-0.inchi |
InChIKey | MCULE-5136762309-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674399096 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-489165944 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-596659064 | Apollo Scientific | In Stock | 95 | Main component | 35.5 g |
P-851260085 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868554526 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-861928162 | FluoroChem | General BB | 98 | Main component | in stock |
P-852481849 | Matrix Scientific | All | N/A | Main component | in stock |
P-854737767 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
P-888849964 | PharmaBlock | In stock | N/A | Main component | in stock |
P-613811293 | Spirochem | All | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 136.622 |
logP | 1.0273 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 24.06 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 44.4334 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |