MCULE-7544442816
- 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 | 46 USD | 90 | 21 working days | Get Quote |
5 mg | 74 USD | 90 | 21 working days | Get Quote |
10 mg | 89 USD | 90 | 21 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-5322513670
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7544442816.sdf |
SMILES | MCULE-7544442816.smiles |
Standard InChI | MCULE-7544442816.inchi |
InChIKey | MCULE-7544442816.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852191709 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-894625541 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851611718 | AmBeed | On request | N/A | As is | by synthesis |
P-611177394 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-580354243 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-854869259 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26457553 | Otava | In-House Stock Library | 90 | As is | 30 mg |
P-886657503 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-889960736 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-869254278 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851543213 | AmBeed | On request | N/A | Main component | by synthesis |
P-611036315 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-895456635 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-26426666 | Otava | In-House Stock Library | 90 | Main component | 218 mg |
P-492278727 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 218 mg |
P-611600562 | Toronto Research | In stock | 90 | Main component | in stock |
P-893853034 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 247.761 |
logP | 4.5784 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.2757 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 1 |
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 |