MCULE-2132464263
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 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-2132464263.sdf |
SMILES | MCULE-2132464263.smiles |
Standard InChI | MCULE-2132464263.inchi |
InChIKey | MCULE-2132464263.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869865995 | Asinex | General screening catalog | 90 | As is | 4 mg |
P-427963389 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-12743521 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-617696963 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 558 mg |
P-12813136 | Otava | In-House Stock Library | 90 | As is | 558 mg |
P-13665063 | Pharmeks LLC | Synthetic compounds | 92 | As is | 36 mg |
P-519770588 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-454037984 | Specs | Screening Compounds | 90 | As is | 17 mg |
P-24788091 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 14 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 345.390 |
logP | 4.2838 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 53.68 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.976 |
Atoms | 45 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 19 |
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 |