MCULE-5896535425
- 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 | 36 USD | 95 | 14 working days | Get Quote |
5 mg | 36 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-5896535425.sdf |
SMILES | MCULE-5896535425.smiles |
Standard InChI | MCULE-5896535425.inchi |
InChIKey | MCULE-5896535425.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852116596 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-436464164 | Alinda | Building Blocks | 95 | As is | 2 g |
P-851839367 | AmBeed | On request | N/A | As is | by synthesis |
P-901359856 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-454720249 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-488545370 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13945529 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-596598066 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-26512692 | Otava | In-House Stock Library | 90 | As is | 110 mg |
P-617699663 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 110 mg |
P-454365621 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-424818970 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885515830 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33913638 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502354274 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855311050 | Toronto Research | In stock | 90 | As is | in stock |
P-2705382 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 210 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 298.289 |
logP | 3.0256 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 64.99 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 80.8265 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |