MCULE-4264831852
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-4264831852.sdf |
SMILES | MCULE-4264831852.smiles |
Standard InChI | MCULE-4264831852.inchi |
InChIKey | MCULE-4264831852.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892988800 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874607527 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-608155683 | Alinda | Building Blocks | 95 | As is | 10 g |
P-502822880 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855981954 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-35180482 | Maybridge | Screening Collection | 90 | As is | 4.42 kg |
P-23221460 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888220647 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 237.208 |
logP | 0.7352 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 103.7 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 57.4028 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |