MCULE-1665494644-0
- 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 | 28 USD | 98 | 16 working days | Get Quote |
5 mg | 44 USD | 98 | 16 working days | Get Quote |
10 mg | 76 USD | 98 | 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-4303553405-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1665494644-0.sdf |
SMILES | MCULE-1665494644-0.smiles |
Standard InChI | MCULE-1665494644-0.inchi |
InChIKey | MCULE-1665494644-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875813013 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869333745 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-867643920 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
P-875810848 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-869367257 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-505402028 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-903170480 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 100 mg |
P-904320275 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 224 mg |
P-606894818 | AmBeed | In stock | N/A | Main component | in stock |
P-892190996 | Angene | Building Blocks in stock | 98 | Main component | 75 mg |
P-580192753 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
P-889771945 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-892412342 | BLD pharm | In-stock building blocks | 98 | Main component | 59 mg |
P-901475676 | Biosynth | Synthesis | 95 | Main component | by synthesis |
P-893229145 | Biosynth | In Stock | 95 | Main component | in stock |
P-860797957 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
P-579478938 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-524167267 | Key Organics | Building Blocks | 95 | Main component | 10 mg |
P-904640764 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-854718709 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-474021364 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-608276785 | Molnova | Stock | 98 | Main component | in stock |
P-893980055 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
P-852198119 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-860798654 | Chiralstar | Chiralstar Building Blocks | 98 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 660.458 |
logP | 5.3669 |
H-bond acceptors | 13 |
H-bond donors | 5 |
Rotatable bonds | 16 |
PSA | 184.63 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 164.2172 |
Atoms | 76 |
Rings | 4 |
Heavy atoms | 43 |
Hydrogen atoms | 33 |
Heteroatoms | 17 |
N/O atoms | 13 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |