MCULE-8881419422
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-8881419422.sdf |
SMILES | MCULE-8881419422.smiles |
Standard InChI | MCULE-8881419422.inchi |
InChIKey | MCULE-8881419422.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867669795 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875843658 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613848520 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436451151 | Alinda | Building Blocks | 95 | As is | 7 g |
P-851744126 | AmBeed | On request | N/A | As is | by synthesis |
P-901349975 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591070515 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492257631 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-619933363 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861537931 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862041371 | FluoroChem | General BB | N/A | As is | in stock |
P-13783569 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-855971167 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852399912 | Matrix Scientific | All | N/A | As is | in stock |
P-895658254 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-13989578 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-23897798 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873219241 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611397053 | Toronto Research | In stock | 90 | As is | in stock |
P-1431871 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 132 mg |
P-893665614 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 261.323 |
logP | 2.2495 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 111.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 63.4903 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 5 |
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 |