MCULE-5887768353
- 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.
Name | File |
---|---|
SDF | MCULE-5887768353.sdf |
SMILES | MCULE-5887768353.smiles |
Standard InChI | MCULE-5887768353.inchi |
InChIKey | MCULE-5887768353.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872804075 | A2B Chem | Predominantly Building Block on demand | 92 | As is | by synthesis |
P-869351387 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851707781 | AmBeed | On request | N/A | As is | by synthesis |
P-611180403 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-5147779 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-889318298 | FluoroChem | General BB | N/A | As is | in stock |
P-31199729 | LaboTest | Screening Collection | 90 | As is | 200 mg |
P-854845559 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 219.279 |
logP | 2.8006 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.1487 |
Atoms | 33 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |