MCULE-9444187537-0
- 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 | 20 USD | N/A | 9 working days | Get Quote |
5 mg | 51 USD | N/A | 9 working days | Get Quote |
10 mg | 78 USD | N/A | 9 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.
-
MCULE-1936281625-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9444187537-0.sdf |
SMILES | MCULE-9444187537-0.smiles |
Standard InChI | MCULE-9444187537-0.inchi |
InChIKey | MCULE-9444187537-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-899989671 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-491319112 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892266824 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892346725 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-892944963 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-869296507 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-893608672 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 325 mg |
P-606939014 | AmBeed | In stock | N/A | As a main component | in stock |
P-872723362 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
P-896035112 | AstaTech | Backordered BBs | 98 | As a main component | by synthesis |
P-861371816 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-608495730 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
P-868078535 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-855926455 | Key Organics | Building Blocks | 97 | As a main component | 100 mg |
P-854717457 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-584626326 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-619673752 | Molnova | Stock | 98 | As a main component | in stock |
P-889883761 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-594275687 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892298633 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
P-888658256 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 152 mg |
P-855067076 | Toronto Research | In stock | 90 | As a main component | in stock |
P-868511051 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 270.264 |
logP | 0.5169 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 4 |
PSA | 143.97 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 66.7045 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 10 |
Heteroatoms | 8 |
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 |