MCULE-7079710849
- 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 | 130 USD | 92 | 18 working days | Get Quote |
5 mg | 130 USD | 92 | 18 working days | Get Quote |
10 mg | 130 USD | 92 | 18 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-1918041555
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7079710849.sdf |
SMILES | MCULE-7079710849.smiles |
Standard InChI | MCULE-7079710849.inchi |
InChIKey | MCULE-7079710849.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854107865 | InterBioScreen | Screening Compounds | 92 | As is | 20 mg |
P-13395535 | Pharmeks LLC | Synthetic compounds | 92 | As is | 20 mg |
P-867466135 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894671639 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851743437 | AmBeed | On request | N/A | Main component | by synthesis |
P-591094868 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
P-889407689 | FluoroChem | General BB | N/A | Main component | in stock |
P-852446022 | Matrix Scientific | All | N/A | Main component | in stock |
P-864056944 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-491121284 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-19759050 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 323.344 |
logP | -2.1188 |
H-bond acceptors | 8 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 122.26 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.2214 |
Atoms | 44 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 21 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
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 | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |