MCULE-3364243244
- 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 | 202 USD | 99 | 18 working days | Get Quote |
5 mg | 670 USD | 99 | 18 working days | Get Quote |
10 mg | 1164 USD | 99 | 18 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-3364243244.sdf |
SMILES | MCULE-3364243244.smiles |
Standard InChI | MCULE-3364243244.inchi |
InChIKey | MCULE-3364243244.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867621686 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875784170 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-596985159 | Angene | Building Blocks in stock | 97 | As is | 25 mg |
P-855917711 | Key Organics | Building Blocks | 97 | As is | 10 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 1721.014 |
logP | 3.1289 |
H-bond acceptors | 38 |
H-bond donors | 23 |
Rotatable bonds | 32 |
PSA | 675.86 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 492.3483 |
Atoms | 234 |
Rings | 7 |
Heavy atoms | 121 |
Hydrogen atoms | 113 |
Heteroatoms | 40 |
N/O atoms | 38 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 15 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 15 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |