MCULE-2533003894
- 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-2533003894.sdf |
SMILES | MCULE-2533003894.smiles |
Standard InChI | MCULE-2533003894.inchi |
InChIKey | MCULE-2533003894.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867415188 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-488549679 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13724013 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596596148 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-454371755 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-864669300 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-885530066 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579384617 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2055030 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 263.314 |
logP | 2.5342 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 76.66 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 69.907 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
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 |