MCULE-5760128256
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 67 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-8134067306
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5760128256.sdf |
SMILES | MCULE-5760128256.smiles |
Standard InChI | MCULE-5760128256.inchi |
InChIKey | MCULE-5760128256.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886664377 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889967389 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869324818 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851853654 | AmBeed | On request | N/A | As is | by synthesis |
P-889819963 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611159783 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-889416367 | FluoroChem | General BB | N/A | As is | in stock |
P-864062403 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-34046912 | Otava | In-House Stock Library | 90 | As is | 100 mg |
P-611485581 | Toronto Research | In stock | 90 | As is | in stock |
P-893782494 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867413502 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894634564 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851922769 | AmBeed | On request | N/A | Main component | by synthesis |
P-611144120 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
P-889320975 | FluoroChem | General BB | N/A | Main component | in stock |
P-492226661 | Innovapharm | Building Blocks | 95 | Main component | in stock |
P-488547603 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
P-13572848 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
P-596595150 | Key Organics | Building Blocks | 90 | Main component | 1000 mg |
P-854848602 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-12414307 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
P-454366980 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
P-885515730 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-605209059 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-502375048 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-855223935 | Toronto Research | In stock | 90 | Main component | in stock |
P-35124109 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1000 mg |
P-464684072 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 1000 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 291.795 |
logP | 3.2456 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 63.78 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 73.7447 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 18 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |