MCULE-4618529456
- 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 | 21 USD | N/A | 10 working days | Get Quote |
5 mg | 21 USD | N/A | 10 working days | Get Quote |
10 mg | 21 USD | N/A | 10 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.
Name | File |
---|---|
SDF | MCULE-4618529456.sdf |
SMILES | MCULE-4618529456.smiles |
Standard InChI | MCULE-4618529456.inchi |
InChIKey | MCULE-4618529456.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875746662 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615720657 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-610986877 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 135.1 g |
P-851631155 | AmBeed | On request | N/A | As is | by synthesis |
P-489238555 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596979277 | Angene | Building Blocks in stock | 95 | As is | 25 g |
P-589661150 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864113074 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590853882 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-851246849 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868646380 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580440835 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862053039 | FluoroChem | General BB | N/A | As is | in stock |
P-505536582 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502529879 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563397045 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-601065360 | Life Chemicals | Screening Compounds | 90 | As is | 7.382 g |
P-14060581 | Life Chemicals | Building Blocks | 95 | As is | 7.382 g |
P-852508306 | Matrix Scientific | All | N/A | As is | in stock |
P-854779586 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888888545 | PharmaBlock | In stock | N/A | As is | in stock |
P-611582522 | Toronto Research | In stock | 90 | As is | in stock |
P-854632863 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 185.220 |
logP | 0.3542 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 46.61 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 51.559 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |