MCULE-5129147520
- 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 | 97 | 20 working days | Get Quote |
5 mg | 12 USD | 97 | 20 working days | Get Quote |
10 mg | 12 USD | 97 | 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-5129147520.sdf |
SMILES | MCULE-5129147520.smiles |
Standard InChI | MCULE-5129147520.inchi |
InChIKey | MCULE-5129147520.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867587620 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875746827 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-588248057 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851940709 | AmBeed | In stock | N/A | As is | in stock |
P-619200739 | Angene | Building Blocks in stock | 97 | As is | 20 g |
P-889477430 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-616203401 | BLD pharm | In-stock building blocks | 97 | As is | 32 g |
P-870585791 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580438857 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862029238 | FluoroChem | General BB | N/A | As is | in stock |
P-492239561 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-596547391 | Key Organics | Screening Compounds and Fragments | 95 | As is | 234 mg |
P-31252181 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852392606 | Matrix Scientific | All | N/A | As is | in stock |
P-863690221 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-889865235 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855060464 | Toronto Research | In stock | 90 | As is | in stock |
P-855059322 | Toronto Research | In stock | 90 | As is | in stock |
P-615460348 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 182.173 |
logP | 0.8133 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 66.76 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 46.353 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 10 |
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 |