MCULE-1573772363
- 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 | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 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-1573772363.sdf |
SMILES | MCULE-1573772363.smiles |
Standard InChI | MCULE-1573772363.inchi |
InChIKey | MCULE-1573772363.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886173067 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596399362 | Asinex | General screening catalog | 90 | As is | 74 mg |
P-5734893 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-4050356 | ChemDiv | Discovery Chemistry Library | 90 | As is | 41 mg |
P-31243808 | LaboTest | Screening Collection | 90 | As is | 250 mg |
P-14217177 | Life Chemicals | Screening Compounds | 90 | As is | 68 mg |
P-424802449 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12892884 | Specs | Screening Compounds | 90 | As is | 119 mg |
P-22480602 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 65 mg |
P-540076 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 125 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 416.468 |
logP | 4.3282 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 52.52 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 125.558 |
Atoms | 55 |
Rings | 5 |
Heavy atoms | 31 |
Hydrogen atoms | 24 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |