MCULE-7389156681
- 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 | 37 USD | 90 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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.
-
MCULE-5357595558
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7389156681.sdf |
SMILES | MCULE-7389156681.smiles |
Standard InChI | MCULE-7389156681.inchi |
InChIKey | MCULE-7389156681.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886426364 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-3682250 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 100 mg |
P-675396537 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-25769696 | Life Chemicals | Screening Compounds | 90 | As a main component | 7 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 263.375 |
logP | 2.4045 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 32.7 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 82.2148 |
Atoms | 44 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 25 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |