MCULE-5110587542
- 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 | 9 working days | Get Quote |
5 mg | 5 USD | 98 | 9 working days | Get Quote |
10 mg | 5 USD | 98 | 9 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.
-
MCULE-3422039123
- Component type: Unknown
-
MCULE-8014265918
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5110587542.sdf |
SMILES | MCULE-5110587542.smiles |
Standard InChI | MCULE-5110587542.inchi |
InChIKey | MCULE-5110587542.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867586527 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875745946 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-575539189 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881672834 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606934724 | AmBeed | In stock | N/A | As is | in stock |
P-489185484 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596954742 | Angene | Building Blocks in stock | 98 | As is | 7.57 kg |
P-494327944 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864173885 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580704347 | BLD pharm | In-stock building blocks | 98 | As is | 635 g |
P-868612462 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862031075 | FluoroChem | All BB | 95 | As is | in stock |
P-870659452 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-856009762 | Key Organics | Biochemicals | 98 | As is | 100 mg |
P-579617002 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
P-31249218 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-856040516 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-613281530 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852466944 | Matrix Scientific | All | N/A | As is | in stock |
P-854691625 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-584627084 | MedKoo | In stock compounds | 95 | As is | in stock |
P-619672983 | Molnova | Stock | 98 | As is | in stock |
P-885537090 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617404986 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869176941 | TargetMol | Natural Products | 95 | As is | 22.888 g |
P-502366790 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855016219 | Toronto Research | In stock | 90 | As is | in stock |
P-615393512 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
P-852152313 | A2B Chem | Predominantly Building Block on demand | 99 | As a main component | by synthesis |
P-596576197 | Key Organics | Building Blocks | 97 | As a component | 100 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 186.291 |
logP | 3.6018 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.7628 |
Atoms | 35 |
Rings | 0 |
Heavy atoms | 13 |
Hydrogen atoms | 22 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |