MCULE-3308979013
- 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 | 16 USD | 95 | 10 working days | Get Quote |
5 mg | 16 USD | 95 | 10 working days | Get Quote |
10 mg | 16 USD | 95 | 10 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-3308979013.sdf |
SMILES | MCULE-3308979013.smiles |
Standard InChI | MCULE-3308979013.inchi |
InChIKey | MCULE-3308979013.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867555991 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875715223 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869365481 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851649581 | AmBeed | On request | N/A | As is | by synthesis |
P-489236493 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865906497 | Angene | Building Blocks in stock | 97 | As is | 200 g |
P-494345828 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-889849663 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590862376 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868593560 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889421086 | FluoroChem | General BB | N/A | As is | in stock |
P-454407272 | Key Organics | Building Blocks | 95 | As is | 226 mg |
P-454329616 | Key Organics | Screening Compounds and Fragments | 95 | As is | 226 mg |
P-856043885 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31263862 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-864069740 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12294224 | Specs | Screening Compounds | 90 | As is | 4.713 g |
P-502367057 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611421197 | Toronto Research | In stock | 90 | As is | in stock |
P-872760057 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 213.256 |
logP | 2.2023 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 71.62 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 53.8487 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
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 |