MCULE-1031865985-0
- 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 | 5 USD | 98 | 8 working days | Get Quote |
5 mg | 5 USD | 98 | 8 working days | Get Quote |
10 mg | 5 USD | 98 | 8 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-3258442969-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1031865985-0.sdf |
SMILES | MCULE-1031865985-0.smiles |
Standard InChI | MCULE-1031865985-0.inchi |
InChIKey | MCULE-1031865985-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892917603 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-890038452 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-892192909 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
P-894011847 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867569061 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
P-875728900 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-869186966 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-505393624 | AK Scientific | Building Blocks | 99 | Main component | in stock |
P-606952814 | AmBeed | In stock | N/A | Main component | in stock |
P-489119493 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-596930052 | Angene | Building Blocks in stock | 98 | Main component | 27.32 kg |
P-895956548 | Apollo Scientific | In Stock | 95 | Main component | 600 g |
P-864158213 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-580724993 | BLD pharm | In-stock building blocks | 98 | Main component | 4.17 kg |
P-868598613 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-580421139 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-896532879 | FluoroChem | In Stock BB | 95 | Main component | 25 g |
P-494300605 | Frinton Laboratories | Frinton Building Blocks | 98 | Main component | in stock |
P-579626313 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
P-31272953 | LaboTest | Screening Collection | 90 | Main component | 2 g |
P-580481502 | Manchester Organics | Compounds on demand | 97 | Main component | by synthesis |
P-852550878 | Matrix Scientific | All | N/A | Main component | in stock |
P-855401992 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
P-885550459 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-502332698 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-893937153 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 220.306 |
logP | 1.7926 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 77.76 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 61.2004 |
Atoms | 39 |
Rings | 0 |
Heavy atoms | 15 |
Hydrogen atoms | 24 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |