MCULE-3277911480
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 72 USD | 90 | 21 working days | Get Quote |
10 mg | 86 USD | 90 | 21 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-3277911480.sdf |
SMILES | MCULE-3277911480.smiles |
Standard InChI | MCULE-3277911480.inchi |
InChIKey | MCULE-3277911480.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892979684 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-3782761 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-492222507 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-563714260 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-12865045 | Otava | In-House Stock Library | 90 | As is | 2.531 g |
P-492283895 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.531 g |
P-502338778 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22521728 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 366.482 |
logP | 4.0418 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 90.7 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 115.1249 |
Atoms | 48 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 22 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
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 |