MCULE-8840189942
- 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 | 8 USD | 97 | 20 working days | Get Quote |
5 mg | 8 USD | 97 | 20 working days | Get Quote |
10 mg | 8 USD | 97 | 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-8840189942.sdf |
SMILES | MCULE-8840189942.smiles |
Standard InChI | MCULE-8840189942.inchi |
InChIKey | MCULE-8840189942.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867575080 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875734654 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590402388 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610970254 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 792.2 g |
P-606893320 | AmBeed | In stock | N/A | As is | in stock |
P-596950569 | Angene | Building Blocks in stock | 97 | As is | 254.75 g |
P-494327466 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864111624 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-580724372 | BLD pharm | In-stock building blocks | 95 | As is | 15.25 g |
P-871220792 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-868643964 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
P-580282137 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861933836 | FluoroChem | General BB | N/A | As is | in stock |
P-890211098 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579522259 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
P-18813169 | Key Organics | Screening Compounds and Fragments | 90 | As is | 186 mg |
P-608082217 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-855386783 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852469033 | Matrix Scientific | All | N/A | As is | in stock |
P-519757787 | Maybridge | Maybridge Building Blocks | 97 | As is | 16 g |
P-428049965 | Maybridge | Screening Collection | 97 | As is | 16 kg |
P-854757351 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888884177 | PharmaBlock | In stock | N/A | As is | in stock |
P-500390729 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-889862816 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596787602 | Synthonix | In-stock Building Blocks | 95 | As is | 389.75 g |
P-611529498 | Toronto Research | In stock | 90 | As is | in stock |
P-615392487 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 123.152 |
logP | 0.6164 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 33.12 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 35.1718 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 9 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |