MCULE-1523560051
- 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 | 52 USD | 95 | 22 working days | Get Quote |
5 mg | 152 USD | 95 | 22 working days | Get Quote |
10 mg | 163 USD | 95 | 22 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.
Name | File |
---|---|
SDF | MCULE-1523560051.sdf |
SMILES | MCULE-1523560051.smiles |
Standard InChI | MCULE-1523560051.inchi |
InChIKey | MCULE-1523560051.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867664909 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875833206 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-580244114 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-489166910 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-893227317 | Biosynth | In Stock | 95 | As is | in stock |
P-852441797 | Matrix Scientific | All | N/A | As is | in stock |
P-611486005 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 270.369 |
logP | 3.393 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 28.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 85.3537 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 22 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |