MCULE-7175784754
- 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 | 12 USD | 98 | 20 working days | Get Quote |
5 mg | 12 USD | 98 | 20 working days | Get Quote |
10 mg | 12 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.
Name | File |
---|---|
SDF | MCULE-7175784754.sdf |
SMILES | MCULE-7175784754.smiles |
Standard InChI | MCULE-7175784754.inchi |
InChIKey | MCULE-7175784754.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867551749 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875709638 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-890258030 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
P-590383931 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893566783 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 190.5 g |
P-606903294 | AmBeed | In stock | N/A | As is | in stock |
P-489181826 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596941762 | Angene | Building Blocks in stock | 98 | As is | 10 g |
P-494322405 | Apollo Scientific | In Stock | 95 | As is | 58 g |
P-864117649 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590622929 | BLD pharm | In-stock building blocks | 98 | As is | 6 g |
P-851311888 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868643394 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580284087 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-901367533 | FluoroChem | In Stock BB | N/A | As is | 20 g |
P-579523666 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1.9 g |
P-890212460 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-502552869 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503002374 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492238833 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-454330044 | Key Organics | Screening Compounds and Fragments | 90 | As is | 258 mg |
P-852451059 | Matrix Scientific | All | N/A | As is | in stock |
P-519760959 | Maybridge | Maybridge Building Blocks | 95 | As is | 18.7 g |
P-35175964 | Maybridge | Screening Collection | 95 | As is | 399 g |
P-863710815 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-889862349 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502361029 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611375442 | Toronto Research | In stock | 90 | As is | in stock |
P-615449432 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 221.133 |
logP | 1.7209 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 59.42 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 42.6863 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 6 |
Heteroatoms | 7 |
N/O atoms | 4 |
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 |