MCULE-2446672435
- 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 | 65 USD | 90 | 10 working days | Get Quote |
5 mg | 81 USD | 90 | 10 working days | Get Quote |
10 mg | 111 USD | 90 | 10 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-2446672435.sdf |
SMILES | MCULE-2446672435.smiles |
Standard InChI | MCULE-2446672435.inchi |
InChIKey | MCULE-2446672435.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852133050 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
P-875842036 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851782817 | AmBeed | On request | N/A | As is | by synthesis |
P-591091963 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
P-454408877 | Key Organics | Building Blocks | 90 | As is | 1.378 g |
P-18709380 | Key Organics | Screening Compounds and Fragments | 90 | As is | 1.378 g |
P-852542042 | Matrix Scientific | All | N/A | As is | in stock |
P-855329906 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 325.611 |
logP | 5.6332 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 17.07 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 83.6535 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |