MCULE-3725443030
- 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 | 10 USD | 98 | 20 working days | Get Quote |
5 mg | 10 USD | 98 | 20 working days | Get Quote |
10 mg | 10 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-3725443030.sdf |
SMILES | MCULE-3725443030.smiles |
Standard InChI | MCULE-3725443030.inchi |
InChIKey | MCULE-3725443030.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867581796 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875741115 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590365966 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610960989 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 323.549 g |
P-606848348 | AmBeed | In stock | N/A | As is | in stock |
P-489140889 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596952971 | Angene | Building Blocks in stock | 98 | As is | 132.65 g |
P-866726543 | Apollo Scientific | In Stock | 95 | As is | 126.9 g |
P-596261140 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596507504 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-864113838 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580702475 | BLD pharm | In-stock building blocks | 97 | As is | 1000 mg |
P-851309328 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868579362 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861952424 | FluoroChem | General BB | 98 | As is | in stock |
P-505513905 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454287176 | Key Organics | Screening Compounds and Fragments | 90 | As is | 73 mg |
P-580510815 | Manchester Organics | Stock compounds | 95 | As is | 25 g |
P-852402942 | Matrix Scientific | All | N/A | As is | in stock |
P-854735150 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888898435 | PharmaBlock | In stock | N/A | As is | in stock |
P-596772400 | Synthonix | In-stock Building Blocks | 97 | As is | 204.9 g |
P-502348504 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611432625 | Toronto Research | In stock | 90 | As is | in stock |
P-893969250 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 168.164 |
logP | 1.7612 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 42.9108 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 9 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |