MCULE-6714470652
- 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 | 377 USD | 90 | 38 working days | Get Quote |
5 mg | 507 USD | 90 | 38 working days | Get Quote |
10 mg | 507 USD | 90 | 38 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-6800280458
- Component type: Main
-
MCULE-1725086406
- Component type: Main
-
MCULE-2144391593
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6714470652.sdf |
SMILES | MCULE-6714470652.smiles |
Standard InChI | MCULE-6714470652.inchi |
InChIKey | MCULE-6714470652.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502797885 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-622239084 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-33916861 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502838578 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-675530022 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-504110001 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-33936894 | TimTec | ActiMol 6 Week | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 262.348 |
logP | 4.1885 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 17.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 83.026 |
Atoms | 38 |
Rings | 4 |
Heavy atoms | 20 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |