MCULE-3405466224
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 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-3405466224.sdf |
SMILES | MCULE-3405466224.smiles |
Standard InChI | MCULE-3405466224.inchi |
InChIKey | MCULE-3405466224.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893021498 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-4068609 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-449241242 | ChemDiv | Discovery Chemistry Library | 90 | As is | 33 mg |
P-428595141 | Eximed | In-stock screening compounds | 90 | As is | 190 mg |
P-502976786 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13796050 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-26480668 | Otava | In-House Stock Library | 90 | As is | 40 mg |
P-674666789 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-520068754 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-3155991 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 115 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 353.800 |
logP | 3.271 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 63.99 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 97.3077 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |