MCULE-5841151164
- 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 | 8 USD | N/A | 9 working days | Get Quote |
5 mg | 8 USD | N/A | 9 working days | Get Quote |
10 mg | 8 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-1504889908
- Component type: Counter Ion
-
1
MCULE-8076342212
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-5841151164.sdf |
SMILES | MCULE-5841151164.smiles |
Standard InChI | MCULE-5841151164.inchi |
InChIKey | MCULE-5841151164.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-881672108 | AK Scientific | Building Blocks | 54 | As is | in stock |
P-616208956 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851929325 | AmBeed | In stock | N/A | As is | in stock |
P-893261179 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-868613977 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862109128 | FluoroChem | General BB | 54 | As is | in stock |
P-885560776 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 214.775 |
logP | -0.638 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 88.64 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 16.2728 |
Atoms | 6 |
Rings | 0 |
Heavy atoms | 6 |
Hydrogen atoms | 0 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 1 |
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 |