MCULE-2926580621
- 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 | 49 USD | 90 | 21 working days | Get Quote |
5 mg | 76 USD | 90 | 30 working days | Get Quote |
10 mg | 88 USD | 90 | 30 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-3418472182
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2926580621.sdf |
SMILES | MCULE-2926580621.smiles |
Standard InChI | MCULE-2926580621.inchi |
InChIKey | MCULE-2926580621.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892987951 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-892484320 | Asinex | General screening catalog | 90 | As is | 2 mg |
P-675519726 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-675344384 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502819314 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-26570949 | Otava | In-House Stock Library | 90 | As is | 160 mg |
P-617708448 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 160 mg |
P-579525195 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 10 mg |
P-859990464 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-675089852 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 344.318 |
logP | 2.1741 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 110.36 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 88.8836 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |