MCULE-6929276644
- 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 | 52 USD | 95 | 14 working days | Get Quote |
5 mg | 52 USD | 95 | 14 working days | Get Quote |
10 mg | 52 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-6929276644.sdf |
SMILES | MCULE-6929276644.smiles |
Standard InChI | MCULE-6929276644.inchi |
InChIKey | MCULE-6929276644.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867595999 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875754797 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613847048 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-867734757 | AmBeed | On request | N/A | As is | by synthesis |
P-887224029 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580287040 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-869096068 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-875882829 | MedKoo | In stock compounds | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 434.594 |
logP | 6.2513 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 14 |
PSA | 95.09 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 123.8925 |
Atoms | 64 |
Rings | 2 |
Heavy atoms | 30 |
Hydrogen atoms | 34 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |