MCULE-8336251656-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 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-2168820870-0
- Component type: Main
-
1
MCULE-1176533515-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8336251656-0.sdf |
SMILES | MCULE-8336251656-0.smiles |
Standard InChI | MCULE-8336251656-0.inchi |
InChIKey | MCULE-8336251656-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-666898471 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-33307476 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-867417192 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-619320919 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | 23 mg |
P-24176599 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | unavailable |
P-13301301 | Pharmeks LLC | Synthetic compounds | 92 | Main component as a main component | 187 mg |
P-675096662 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
P-33291044 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
P-617760967 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 8.907 g |
P-617712191 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component as a main component | 8.907 g |
Property | Value |
---|---|
Components | 2 |
Mass | 365.471 |
logP | 3.4694 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 117.93 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 95.7662 |
Atoms | 43 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 19 |
Heteroatoms | 7 |
N/O atoms | 5 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |