MCULE-7036221994-0
- 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 | 11 USD | 95 | 20 working days | Get Quote |
5 mg | 11 USD | 95 | 20 working days | Get Quote |
10 mg | 11 USD | 95 | 20 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-7036221994-0.sdf |
SMILES | MCULE-7036221994-0.smiles |
Standard InChI | MCULE-7036221994-0.inchi |
InChIKey | MCULE-7036221994-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867630637 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875794383 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590391745 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893518995 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 241.5 g |
P-606877476 | AmBeed | In stock | N/A | As is | in stock |
P-489156817 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596966319 | Angene | Building Blocks in stock | 95 | As is | 142.75 g |
P-589658278 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864103981 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580726694 | BLD pharm | In-stock building blocks | 95 | As is | 46.25 g |
P-893263194 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851241183 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861271999 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-868595443 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
P-861986778 | FluoroChem | General BB | N/A | As is | in stock |
P-502528894 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454305067 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
P-579660999 | LabSeeker, Inc | On demand Catalog | 97 | As is | by resynthesis (? - ? days) |
P-31179288 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-870641517 | Manchester Organics | Stock compounds | N/A | As is | 75 g |
P-852443151 | Matrix Scientific | All | N/A | As is | in stock |
P-854748259 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-889882010 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596758476 | Synthonix | In-stock Building Blocks | 95 | As is | 215 g |
P-892263367 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892344699 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-611421127 | Toronto Research | In stock | 90 | As is | in stock |
P-893939277 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 185.606 |
logP | 2.077 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 49.33 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.7877 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 8 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |