MCULE-3205173370
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 USD | 92 | 18 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-3205173370.sdf |
SMILES | MCULE-3205173370.smiles |
Standard InChI | MCULE-3205173370.inchi |
InChIKey | MCULE-3205173370.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860638311 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
P-894672134 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893615825 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.75 g |
P-851400409 | AmBeed | On request | N/A | As is | by synthesis |
P-489166148 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-895941954 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889846788 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611007899 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861390341 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889322939 | FluoroChem | General BB | N/A | As is | in stock |
P-890852125 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13935898 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-874449650 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-624423489 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-881189793 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-888845154 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-445345820 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-19507423 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889862665 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611587250 | Toronto Research | In stock | 90 | As is | in stock |
P-25716716 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 115 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 190.154 |
logP | 0.0639 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 6 |
PSA | 129.72 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 40.5977 |
Atoms | 23 |
Rings | 0 |
Heavy atoms | 13 |
Hydrogen atoms | 10 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |