MCULE-8055403526
- 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 | 337 USD | N/A | 35 working days | Get Quote |
5 mg | 337 USD | N/A | 35 working days | Get Quote |
10 mg | 337 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.
Name | File |
---|---|
SDF | MCULE-8055403526.sdf |
SMILES | MCULE-8055403526.smiles |
Standard InChI | MCULE-8055403526.inchi |
InChIKey | MCULE-8055403526.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-868817273 | AmBeed | On request | N/A | As is | by synthesis |
P-619594129 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-892267570 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892347124 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-855344725 | Toronto Research | In stock | 90 | As is | in stock |
P-855344605 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 246.344 |
logP | 3.7411 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.842 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 22 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |