MCULE-1067762100
- 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 | 88 USD | 97 | 22 working days | Get Quote |
5 mg | 88 USD | 97 | 22 working days | Get Quote |
10 mg | 88 USD | 97 | 22 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-7909074599
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1067762100.sdf |
SMILES | MCULE-1067762100.smiles |
Standard InChI | MCULE-1067762100.inchi |
InChIKey | MCULE-1067762100.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851441393 | AmBeed | On request | N/A | As is | by synthesis |
P-611025077 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-889737614 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-895466359 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-867550961 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
P-875708843 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-869207526 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-893535320 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 11.05 g |
P-851940744 | AmBeed | In stock | N/A | Main component | in stock |
P-865905503 | Angene | Building Blocks in stock | 97 | Main component | 6 g |
P-864198914 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-617432176 | BLD pharm | In-stock building blocks | 97 | Main component | 1.35 g |
P-893266518 | Biosynth | Synthesis | 95 | Main component | by synthesis |
P-870588784 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-580381112 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
P-889309710 | FluoroChem | General BB | N/A | Main component | in stock |
P-590338709 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 1000 mg |
P-890216274 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
P-855962715 | Key Organics | Building Blocks | 97 | Main component | 100 mg |
P-854828953 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-859993550 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-611583121 | Toronto Research | In stock | 90 | Main component | in stock |
P-480555787 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 222.693 |
logP | 3.0318 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 80.57 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 53.7071 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
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 |