MCULE-8538905522
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-8538905522.sdf |
SMILES | MCULE-8538905522.smiles |
Standard InChI | MCULE-8538905522.inchi |
InChIKey | MCULE-8538905522.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-5464601 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-640140212 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18921540 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-413160 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 62 mg |
P-897180098 | XtalPi Inc. | Virtual amide coupling building blocks | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 239.739 |
logP | 3.7833 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.2617 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |