MCULE-9604339855
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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.
-
1
MCULE-3857746542
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9604339855.sdf |
SMILES | MCULE-9604339855.smiles |
Standard InChI | MCULE-9604339855.inchi |
InChIKey | MCULE-9604339855.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869182787 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-579779029 | AK Scientific | Building Blocks | 99 | Main component | in stock |
P-865621661 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
P-489163200 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-868608884 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
P-580419596 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-862028214 | FluoroChem | General BB | 95 | Main component | in stock |
P-579616068 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
P-856041367 | LaboTest | Building Blocks | 90 | Main component | 10 g |
P-31274682 | LaboTest | Screening Collection | 90 | Main component | 10 g |
P-613284773 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
P-580465862 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
P-852504866 | Matrix Scientific | All | N/A | Main component | in stock |
P-428001712 | Maybridge | Screening Collection | 95 | Main component | 7.989 kg |
P-621857821 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-620223941 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 1000 mg |
P-26433484 | Otava | In-House Stock Library | 90 | Main component | 1000 mg |
P-424895451 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-885559303 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-855011140 | Toronto Research | In stock | 90 | Main component | in stock |
P-25709260 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 30 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 129.586 |
logP | -2.1869 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 14.14 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 37.0627 |
Atoms | 16 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 8 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |