MCULE-4968202457
- 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.
-
1
MCULE-7272602697
- Component type: Main
-
1
MCULE-4467353796
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4968202457.sdf |
SMILES | MCULE-4968202457.smiles |
Standard InChI | MCULE-4968202457.inchi |
InChIKey | MCULE-4968202457.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854573000 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-13477820 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-675131602 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-896184118 | Specs | Screening Compounds | 90 | Main component | 10 mg |
P-852052294 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 113 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 455.546 |
logP | 0.999 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 11 |
PSA | 131.09 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 127.8946 |
Atoms | 66 |
Rings | 3 |
Heavy atoms | 33 |
Hydrogen atoms | 33 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |