MCULE-2109569481
- 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 | 34 USD | 98 | 16 working days | Get Quote |
5 mg | 74 USD | 98 | 16 working days | Get Quote |
10 mg | 104 USD | 98 | 16 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-2109569481.sdf |
SMILES | MCULE-2109569481.smiles |
Standard InChI | MCULE-2109569481.inchi |
InChIKey | MCULE-2109569481.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867630936 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875794603 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590360726 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606849668 | AmBeed | In stock | N/A | As is | in stock |
P-596966343 | Angene | Building Blocks in stock | 98 | As is | 400 mg |
P-580195440 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864173725 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-868544672 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
P-580731857 | BLD pharm | In-stock building blocks | 98 | As is | 640 mg |
P-851268660 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798745 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861368074 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479180 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-675216215 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596563833 | Key Organics | Building Blocks | 97 | As is | 1 mg |
P-854715488 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584625429 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608275003 | Molnova | Stock | 98 | As is | in stock |
P-579712339 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888657725 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869162353 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611516746 | Toronto Research | In stock | 90 | As is | in stock |
P-611408465 | Toronto Research | In stock | 90 | As is | in stock |
P-480919463 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 307.342 |
logP | 3.7902 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 63.24 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.0127 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 17 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |