MCULE-1137791149
- 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 | 14 USD | 98 | 20 working days | Get Quote |
5 mg | 14 USD | 98 | 20 working days | Get Quote |
10 mg | 14 USD | 98 | 20 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-2610205036
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-1137791149.sdf |
SMILES | MCULE-1137791149.smiles |
Standard InChI | MCULE-1137791149.inchi |
InChIKey | MCULE-1137791149.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867638534 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875803912 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869275350 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851924850 | AmBeed | In stock | N/A | As is | in stock |
P-865921689 | Angene | Building Blocks in stock | 98 | As is | 63.65 g |
P-889578999 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-889030103 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580301101 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861947917 | FluoroChem | General BB | N/A | As is | in stock |
P-890210122 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579516321 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
P-502568657 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-524174127 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-596570023 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-870640208 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-31246314 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-863717781 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888888620 | PharmaBlock | In stock | N/A | As is | in stock |
P-500384844 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-859985274 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-868532003 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
P-855243056 | Toronto Research | In stock | 90 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 158.195 |
logP | 1.0122 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 41.3896 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |