MCULE-3678148123
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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-3678148123.sdf |
SMILES | MCULE-3678148123.smiles |
Standard InChI | MCULE-3678148123.inchi |
InChIKey | MCULE-3678148123.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875817125 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615729462 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436455727 | Alinda | Building Blocks | 95 | As is | in stock |
P-851823716 | AmBeed | On request | N/A | As is | by synthesis |
P-591134660 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492254887 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454705046 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-874588537 | ChemDiv | Discovery Chemistry Library | 90 | As is | in stock |
P-868634999 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-862040378 | FluoroChem | General BB | 95 | As is | in stock |
P-488552598 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13802022 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596587180 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-588252515 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852409752 | Matrix Scientific | All | N/A | As is | in stock |
P-895660259 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454369987 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-424838014 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523224 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873220762 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611593994 | Toronto Research | In stock | 90 | As is | in stock |
P-1433563 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.704 g |
P-3224949 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.704 g |
P-893675601 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 201.219 |
logP | -0.1061 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 66.84 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 53.1308 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
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 |