MCULE-1260414416
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-2743261263
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1260414416.sdf |
SMILES | MCULE-1260414416.smiles |
Standard InChI | MCULE-1260414416.inchi |
InChIKey | MCULE-1260414416.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867669251 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875843410 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869368934 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851581652 | AmBeed | On request | N/A | As is | by synthesis |
P-611080453 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-616227566 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4149764 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-868570253 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862058393 | FluoroChem | General BB | N/A | As is | in stock |
P-855950549 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-855400835 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-675097535 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611431535 | Toronto Research | In stock | 90 | As is | in stock |
P-617766524 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 621 mg |
P-893671849 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867429978 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894639534 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-889356773 | FluoroChem | General BB | N/A | Main component | in stock |
P-855372171 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 240 mg |
P-890220197 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
P-502503773 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-854894930 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-873213530 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-611590248 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 230.690 |
logP | 2.4761 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 64.35 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 61.8851 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |