MCULE-4132613649
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 34 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.
-
MCULE-2194949078
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4132613649.sdf |
SMILES | MCULE-4132613649.smiles |
Standard InChI | MCULE-4132613649.inchi |
InChIKey | MCULE-4132613649.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893179586 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-886555905 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-901258439 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-881662455 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-590412912 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-851951149 | AmBeed | In stock | N/A | As a main component | in stock |
P-666963997 | BLD pharm | In-stock building blocks | 98 | As a main component | 12.5 g |
P-872748769 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-868616268 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-889440876 | FluoroChem | General BB | N/A | As a main component | in stock |
P-24174660 | InterBioScreen | Screening Compounds | 92 | As a main component | unavailable |
P-856045705 | LaboTest | Building Blocks | 90 | As a main component | unavailable |
P-31266848 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
P-852509684 | Matrix Scientific | All | N/A | As a main component | in stock |
P-13353134 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
P-885536086 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-502367163 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-855050058 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617784359 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 114 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 365.539 |
logP | 5.0198 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 65.29 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 113.638 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 25 |
Hydrogen atoms | 21 |
Heteroatoms | 4 |
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 |