MCULE-8026800444
- 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 | 89 USD | 90 | 12 working days | Get Quote |
5 mg | 97 USD | 90 | 12 working days | Get Quote |
10 mg | 148 USD | 90 | 12 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-5461473161
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8026800444.sdf |
SMILES | MCULE-8026800444.smiles |
Standard InChI | MCULE-8026800444.inchi |
InChIKey | MCULE-8026800444.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-870501738 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-584608730 | Alinda | Building Blocks | 95 | As a main component | in stock |
P-619340871 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 3.495 g |
P-861365904 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-852617693 | Matrix Scientific | All | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 270.304 |
logP | 2.43 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 32.57 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 84.0147 |
Atoms | 35 |
Rings | 4 |
Heavy atoms | 20 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |