MCULE-5472373241
- 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 | 20 working days | Get Quote |
5 mg | 13 USD | 98 | 20 working days | Get Quote |
10 mg | 13 USD | 98 | 20 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.
-
MCULE-1793480974
- Component type: Main
-
MCULE-9997797146
- Component type: Main
-
MCULE-4436568977
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5472373241.sdf |
SMILES | MCULE-5472373241.smiles |
Standard InChI | MCULE-5472373241.inchi |
InChIKey | MCULE-5472373241.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886620911 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-874655201 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-590392687 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-578527168 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-875905986 | AmBeed | In stock | N/A | As is | in stock |
P-606927032 | AmBeed | In stock | N/A | As is | in stock |
P-895099240 | Angene | Building Blocks in stock | 99 | As is | 400 g |
P-596968562 | Angene | Building Blocks in stock | 98 | As is | 800 g |
P-864193201 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-454645980 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-10541362 | ChemDiv | Discovery Chemistry Library | 90 | As is | 582 mg |
P-862013212 | FluoroChem | General BB | N/A | As is | in stock |
P-502476009 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454407781 | Key Organics | Building Blocks | 95 | As is | 7.921 g |
P-18702514 | Key Organics | Screening Compounds and Fragments | 95 | As is | 7.921 g |
P-492284707 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-12914554 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-519905660 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889862683 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596749982 | Synthonix | In-stock Building Blocks | 97 | As is | 4 g |
P-23113395 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-502408459 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611380851 | Toronto Research | In stock | 90 | As is | in stock |
P-424790827 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 g |
P-886910641 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-504021273 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-504021774 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-504022154 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 254.279 |
logP | 3.3634 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.0908 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |