MCULE-4576976946
- 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 | 12 USD | 98 | 20 working days | Get Quote |
5 mg | 12 USD | 98 | 20 working days | Get Quote |
10 mg | 12 USD | 98 | 20 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-4576976946.sdf |
SMILES | MCULE-4576976946.smiles |
Standard InChI | MCULE-4576976946.inchi |
InChIKey | MCULE-4576976946.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875742632 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590413946 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881670792 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893533844 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 90.7 g |
P-34862673 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851573993 | AmBeed | On request | N/A | As is | by synthesis |
P-489213295 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596988678 | Angene | Building Blocks in stock | 98 | As is | 35 g |
P-864175786 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-590815367 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-4431348 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
P-4998958 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-157803 | Chemical Block | Screening Library | 90 | As is | unavailable |
P-868605019 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580300116 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-870653549 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-13909274 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-596570898 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-895257432 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-13341907 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-19010048 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502330823 | TimTec | Building Block Collection | 90 | As is | in stock |
P-33162296 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611433624 | Toronto Research | In stock | 90 | As is | in stock |
P-1857201 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 119 mg |
P-615398580 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 220.221 |
logP | 2.1186 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 48.67 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.434 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 12 |
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 |