MCULE-4223818229
- 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 | 22 working days | Get Quote |
5 mg | 5 USD | 98 | 22 working days | Get Quote |
10 mg | 5 USD | 98 | 22 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-4223818229.sdf |
SMILES | MCULE-4223818229.smiles |
Standard InChI | MCULE-4223818229.inchi |
InChIKey | MCULE-4223818229.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867588074 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875747267 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-606938370 | AmBeed | In stock | N/A | As is | in stock |
P-489150903 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596955195 | Angene | Building Blocks in stock | 98 | As is | 2.035 kg |
P-494321838 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-864110609 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-580733005 | BLD pharm | In-stock building blocks | 98 | As is | 130 g |
P-851269484 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868601557 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861923137 | FluoroChem | General BB | N/A | As is | in stock |
P-505492525 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454314260 | Key Organics | Screening Compounds and Fragments | 90 | As is | 78 mg |
P-31257029 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-580498201 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852379238 | Matrix Scientific | All | N/A | As is | in stock |
P-854739680 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-885538310 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596791298 | Synthonix | In-stock Building Blocks | 95 | As is | 2.323 kg |
P-502398694 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611441149 | Toronto Research | In stock | 90 | As is | in stock |
P-615395935 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 202.172 |
logP | 3.2981 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 46.4455 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |