MCULE-8361722883
- 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 | 21 working days | Get Quote |
5 mg | 62 USD | 95 | 14 working days | Get Quote |
10 mg | 83 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.
-
MCULE-8659424675
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8361722883.sdf |
SMILES | MCULE-8361722883.smiles |
Standard InChI | MCULE-8361722883.inchi |
InChIKey | MCULE-8361722883.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867637190 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875802444 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869291081 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-856056366 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-502587630 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-873242154 | Key Organics | Building Blocks | 90 | As is | 5 mg |
P-872528872 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-872676791 | MedKoo | In stock compounds | 95 | As is | in stock |
P-612839799 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
P-875816102 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
P-489207414 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-596985600 | Angene | Building Blocks in stock | 98 | As a main component | 230 mg |
P-889587448 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-889434348 | FluoroChem | General BB | N/A | As a main component | in stock |
P-596568897 | Key Organics | Building Blocks | 97 | As a main component | 10 mg |
P-31177438 | LaboTest | Screening Collection | 90 | As a main component | 30 mg |
P-869093398 | MedChemExpress | In stock Building Blocks | 95 | As a main component | in stock |
P-872676792 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-885534479 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-611585102 | Toronto Research | In stock | 90 | As a main component | in stock |
P-611526495 | Toronto Research | In stock | 90 | As a main component | in stock |
P-886921542 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 197.231 |
logP | 1.0445 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 61.72 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 53.5005 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |