MCULE-3111386452
- 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 | 442 USD | 95 | 34 working days | Get Quote |
5 mg | 442 USD | 95 | 34 working days | Get Quote |
10 mg | 442 USD | 95 | 34 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-3111386452.sdf |
SMILES | MCULE-3111386452.smiles |
Standard InChI | MCULE-3111386452.inchi |
InChIKey | MCULE-3111386452.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852140989 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889961421 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-861457412 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580331807 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-613299831 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852569488 | Matrix Scientific | All | N/A | As is | in stock |
P-895665534 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855260065 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 186.637 |
logP | 0.92528 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 44.1 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.012 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |