MCULE-2076313150
- 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 | 49 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.
Name | File |
---|---|
SDF | MCULE-2076313150.sdf |
SMILES | MCULE-2076313150.smiles |
Standard InChI | MCULE-2076313150.inchi |
InChIKey | MCULE-2076313150.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3947217 | ChemDiv | Discovery Chemistry Library | 90 | As is | 42 mg |
P-502648501 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-504265168 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-19019086 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33833590 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-2574584 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 60 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 459.449 |
logP | 5.95358 |
H-bond acceptors | 9 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 138.15 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 127.1472 |
Atoms | 55 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 21 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |