MCULE-5349067761
- 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 | 66 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-2392831714
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5349067761.sdf |
SMILES | MCULE-5349067761.smiles |
Standard InChI | MCULE-5349067761.inchi |
InChIKey | MCULE-5349067761.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-24482823 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-13299166 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-18956854 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-33199184 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 5 mg |
P-554267 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 153 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 437.530 |
logP | 2.4809 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 90.85 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 131.1156 |
Atoms | 63 |
Rings | 5 |
Heavy atoms | 32 |
Hydrogen atoms | 31 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |