MCULE-4420750473
- 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 | 36 USD | 92 | 18 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-4420750473.sdf |
SMILES | MCULE-4420750473.smiles |
Standard InChI | MCULE-4420750473.inchi |
InChIKey | MCULE-4420750473.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875706010 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869286954 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436464238 | Alinda | Building Blocks | 95 | As is | 3 g |
P-901662091 | AmBeed | In stock | N/A | As is | in stock |
P-864290002 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-901920491 | BLD pharm | In-stock building blocks | 97 | As is | 3.7 g |
P-492260280 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454720409 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-584582275 | ChemDiv | Discovery Chemistry Library | 90 | As is | 29 mg |
P-436445442 | Chemical Block | Building Blocks | 90 | As is | 24.64 g |
P-425014980 | Chemical Block | Screening Library | 90 | As is | 327 mg |
P-896544153 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-868631874 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862042115 | FluoroChem | General BB | N/A | As is | in stock |
P-13876559 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13826203 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596597095 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852434716 | Matrix Scientific | All | N/A | As is | in stock |
P-854834760 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454373562 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-864669670 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-579413258 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885530491 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502438952 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611581419 | Toronto Research | In stock | 90 | As is | in stock |
P-464689234 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-25734643 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-893663297 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 182.405 |
logP | 1.2206 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 29.0927 |
Atoms | 8 |
Rings | 1 |
Heavy atoms | 7 |
Hydrogen atoms | 1 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |