MCULE-1946169470
- 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 | 49 USD | 98 | 20 working days | Get Quote |
5 mg | 100 USD | 98 | 22 working days | Get Quote |
10 mg | 161 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.
Name | File |
---|---|
SDF | MCULE-1946169470.sdf |
SMILES | MCULE-1946169470.smiles |
Standard InChI | MCULE-1946169470.inchi |
InChIKey | MCULE-1946169470.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867556746 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875716057 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869267594 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851736810 | AmBeed | On request | N/A | As is | by synthesis |
P-868826416 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
P-872725259 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864263503 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
P-868544039 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-591083197 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
P-580452582 | CliniSciences S.A.S | All products | 99 | As is | in stock |
P-887323664 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868659111 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-873244851 | Key Organics | Building Blocks | 97 | As is | in stock |
P-854717697 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871075067 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888170410 | Molnova | On demand | 98 | As is | by synthesis |
P-491319114 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888635681 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869120953 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-868539025 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 357.165 |
logP | 3.38208 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 106.49 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 85.0251 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 9 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |