MCULE-5311662802
- 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 | 5 USD | 99 | 16 working days | Get Quote |
5 mg | 5 USD | 99 | 16 working days | Get Quote |
10 mg | 5 USD | 99 | 16 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.
-
1
MCULE-1130490679
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5311662802.sdf |
SMILES | MCULE-5311662802.smiles |
Standard InChI | MCULE-5311662802.inchi |
InChIKey | MCULE-5311662802.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867659631 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875828104 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-489174388 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596971945 | Angene | Building Blocks in stock | 99 | As is | 445.197 g |
P-872728180 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864141717 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-860054684 | AvaChem Scientific | All products | 95 | As is | by synthesis |
P-580697428 | BLD pharm | In-stock building blocks | 99 | As is | 445.197 g |
P-579481655 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-856009404 | Key Organics | Biochemicals | 95 | As is | 100 mg |
P-854715196 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-608279548 | Molnova | Stock | 98 | As is | in stock |
P-889865787 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617402261 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888657784 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-525184897 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855355670 | Toronto Research | In stock | 90 | As is | in stock |
P-666974493 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
P-886116684 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
P-890049409 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
P-851206329 | Alinda | Building Blocks | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 422.355 |
logP | 3.9102 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 109.0942 |
Atoms | 54 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 28 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |