MCULE-7044258301
- 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 | 46 USD | 95 | 14 working days | Get Quote |
5 mg | 115 USD | 95 | 14 working days | Get Quote |
10 mg | 172 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-7044258301.sdf |
SMILES | MCULE-7044258301.smiles |
Standard InChI | MCULE-7044258301.inchi |
InChIKey | MCULE-7044258301.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867621240 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875783547 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869242148 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-881626392 | AmBeed | On request | N/A | As is | by synthesis |
P-895098382 | Angene | Building Blocks in stock | 99 | As is | 10 mg |
P-872725173 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864240633 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591136573 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-851297272 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887182319 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-675215251 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-873244858 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854717214 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474021404 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888170017 | Molnova | On demand | 98 | As is | by synthesis |
P-491459235 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869118135 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888633238 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-893888715 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 357.412 |
logP | 2.79848 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 77.25 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 102.464 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 19 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |