MCULE-8750640003
- 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 | 102 USD | N/A | 9 working days | Get Quote |
5 mg | 102 USD | N/A | 9 working days | Get Quote |
10 mg | 102 USD | N/A | 9 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-8228414914
- Component type: Main
-
1
MCULE-5133077095
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8750640003.sdf |
SMILES | MCULE-8750640003.smiles |
Standard InChI | MCULE-8750640003.inchi |
InChIKey | MCULE-8750640003.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867549292 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875706963 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-619181672 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-596583082 | Key Organics | Building Blocks | 97 | As is | 5 g |
Property | Value |
---|---|
Components | 2 |
Mass | 368.331 |
logP | 3.0073 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 98.36 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 83.9474 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 15 |
Heteroatoms | 11 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |