MCULE-5280559353
- 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.
Name | File |
---|---|
SDF | MCULE-5280559353.sdf |
SMILES | MCULE-5280559353.smiles |
Standard InChI | MCULE-5280559353.inchi |
InChIKey | MCULE-5280559353.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867415749 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894614908 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851638905 | AmBeed | On request | N/A | As is | by synthesis |
P-590852817 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-889386745 | FluoroChem | General BB | 95 | As is | in stock |
P-488554066 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24462142 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595646 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852417726 | Matrix Scientific | All | N/A | As is | in stock |
P-864029159 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454374609 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-23812030 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-885529839 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-34212784 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-24817732 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-464686264 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 208.257 |
logP | 2.5261 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 64.35 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 61.2651 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 16 |
Heteroatoms | 4 |
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 |