MCULE-6919862234-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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.
-
1
MCULE-8301481389-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6919862234-0.sdf |
SMILES | MCULE-6919862234-0.smiles |
Standard InChI | MCULE-6919862234-0.inchi |
InChIKey | MCULE-6919862234-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3420024 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 15 mg |
P-424409330 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-617603479 | Specs | Screening Compounds | 90 | As is | 293 mg |
P-617737028 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 226 mg |
P-892978774 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-596492848 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
P-596414527 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
P-580300241 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-492215715 | Innovapharm | Building Blocks | 95 | Main component | in stock |
P-502453404 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-12414506 | Otava | In-House Stock Library | 90 | Main component | 1000 mg |
P-500388992 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
P-502331454 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-24192179 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 180 mg |
P-852380992 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
P-863983886 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-611594156 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 237.723 |
logP | 4.0707 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 25.17 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.7007 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
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 |