MCULE-7071865479
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-7071865479.sdf |
SMILES | MCULE-7071865479.smiles |
Standard InChI | MCULE-7071865479.inchi |
InChIKey | MCULE-7071865479.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612862 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875772803 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-612939061 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851463244 | AmBeed | On request | N/A | As is | by synthesis |
P-590762188 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492268584 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-868569057 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580425183 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862043080 | FluoroChem | General BB | N/A | As is | in stock |
P-596586258 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588253754 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852392722 | Matrix Scientific | All | N/A | As is | in stock |
P-35212216 | Maybridge | Screening Collection | 90 | As is | 10.945 kg |
P-854925890 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19346967 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885522694 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502384987 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611427689 | Toronto Research | In stock | 90 | As is | in stock |
P-25102436 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.266 g |
P-3217774 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.266 g |
P-893663618 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 240.300 |
logP | 3.7921 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 74.9926 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |