MCULE-9533520941
- 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 | 54 USD | 95 | 15 working days | Get Quote |
5 mg | 54 USD | 95 | 15 working days | Get Quote |
10 mg | 54 USD | 95 | 15 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-9533520941.sdf |
SMILES | MCULE-9533520941.smiles |
Standard InChI | MCULE-9533520941.inchi |
InChIKey | MCULE-9533520941.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867604016 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875761475 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613853617 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-867715062 | AmBeed | In stock | N/A | As is | in stock |
P-489224551 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865912904 | Angene | Building Blocks in stock | 95 | As is | 3.4 g |
P-869385619 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-863650070 | BLD pharm | In-stock building blocks | 95 | As is | 1.72 g |
P-893235574 | Biosynth | In Stock | 95 | As is | in stock |
P-861553457 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580428903 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889310268 | FluoroChem | General BB | 95 | As is | in stock |
P-590337561 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-890215128 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-502543722 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-859992843 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611511611 | Toronto Research | In stock | 90 | As is | in stock |
P-893993103 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 159.183 |
logP | 0.6242 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 66.4 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 40.2765 |
Atoms | 24 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |