MCULE-8306118805
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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.
-
MCULE-7280788352
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8306118805.sdf |
SMILES | MCULE-8306118805.smiles |
Standard InChI | MCULE-8306118805.inchi |
InChIKey | MCULE-8306118805.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893081780 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-869963755 | Asinex | General screening catalog | 90 | As is | unavailable |
P-502485822 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503491629 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502757358 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13100508 | InterBioScreen | Screening Compounds | 92 | As is | 261 mg |
P-579268885 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33807819 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-24806076 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
P-616231599 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | As a main component | 5 mg |
P-675272264 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-502584184 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-675527783 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-675390712 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 225.309 |
logP | 2.7478 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 54.55 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 61.9847 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |