MCULE-7177199929
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 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.
-
MCULE-9043588386
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7177199929.sdf |
SMILES | MCULE-7177199929.smiles |
Standard InChI | MCULE-7177199929.inchi |
InChIKey | MCULE-7177199929.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4246809 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 5 mg |
P-24481387 | InterBioScreen | Natural Compounds | 92 | As a main component | 204 mg |
P-13272720 | Pharmeks LLC | Semi-natural compounds | 92 | As a main component | 204 mg |
P-675089502 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 269.341 |
logP | 2.2966 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 45.23 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 81.1907 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |