MCULE-3469476412
- 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 | 95 USD | 95 | 25 working days | Get Quote |
5 mg | 95 USD | 95 | 25 working days | Get Quote |
10 mg | 95 USD | 95 | 25 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-8471729407
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3469476412.sdf |
SMILES | MCULE-3469476412.smiles |
Standard InChI | MCULE-3469476412.inchi |
InChIKey | MCULE-3469476412.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892900049 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-612943031 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851633842 | AmBeed | On request | N/A | As is | by synthesis |
P-589664079 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-870024750 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-864281695 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590985638 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861551644 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580293433 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-492235655 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502554614 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-852385317 | Matrix Scientific | All | N/A | As is | in stock |
P-854885204 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502390426 | TimTec | Building Block Collection | 90 | As is | in stock |
P-873064781 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-873212374 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-889938536 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-874609817 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851671765 | AmBeed | On request | N/A | As a main component | by synthesis |
P-864289530 | AstaTech | Backordered BBs | 98 | As a main component | by synthesis |
P-591095899 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-854764033 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611377365 | Toronto Research | In stock | 90 | As a main component | in stock |
P-611377140 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893804191 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 169.196 |
logP | 2.2536 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 45.2134 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |