MCULE-7186793382-0
- 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 | 289 USD | N/A | 35 working days | Get Quote |
5 mg | 289 USD | N/A | 35 working days | Get Quote |
10 mg | 289 USD | N/A | 35 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-3432121469-0
- Component type: Main
-
2
MCULE-7728164114-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7186793382-0.sdf |
SMILES | MCULE-7186793382-0.smiles |
Standard InChI | MCULE-7186793382-0.inchi |
InChIKey | MCULE-7186793382-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-874608310 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851904365 | AmBeed | On request | N/A | As is | by synthesis |
P-855987942 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-611543308 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 717.805 |
logP | 7.0666 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 18 |
PSA | 58.2 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 216.5352 |
Atoms | 104 |
Rings | 4 |
Heavy atoms | 50 |
Hydrogen atoms | 54 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |