MCULE-1925085183
- 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 | 13 USD | 98 | 22 working days | Get Quote |
5 mg | 33 USD | 98 | 20 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-1925085183.sdf |
SMILES | MCULE-1925085183.smiles |
Standard InChI | MCULE-1925085183.inchi |
InChIKey | MCULE-1925085183.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867534214 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-869280084 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893517046 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 30.69 g |
P-19988673 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606842799 | AmBeed | In stock | N/A | As is | in stock |
P-596925789 | Angene | Building Blocks in stock | 98 | As is | 770 mg |
P-872726281 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-869494460 | Asinex | General screening catalog | 90 | As is | 361 mg |
P-864109886 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893230638 | Biosynth | In Stock | 95 | As is | in stock |
P-4308649 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-860798687 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-34565827 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862071670 | FluoroChem | General BB | N/A | As is | in stock |
P-870659188 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-855923259 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-856021867 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-629173680 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-26357900 | Otava | In-House Stock Library | 90 | As is | 3 mg |
P-34122487 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453940935 | Specs | Screening Compounds | 90 | As is | 18 mg |
P-594274528 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892296026 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888656941 | TargetMol | Screening Compounds - stock amount | 95 | As is | 150 mg |
P-22637252 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888434430 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-565455 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 478 mg |
P-480980853 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 282.336 |
logP | 3.6704 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 61.69 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 84.2132 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |