MCULE-5348182657
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-5348182657.sdf |
SMILES | MCULE-5348182657.smiles |
Standard InChI | MCULE-5348182657.inchi |
InChIKey | MCULE-5348182657.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893055846 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-5088519 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
P-240317 | Chemical Block | Screening Library | 90 | As is | 225 mg |
P-34701438 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502648215 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503080375 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-13294250 | InterBioScreen | Screening Compounds | 92 | As is | 109 mg |
P-12988515 | Otava | In-House Stock Library | 90 | As is | 107 mg |
P-617707001 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 107 mg |
P-13958760 | Pharmeks LLC | Synthetic compounds | 92 | As is | 109 mg |
P-19020311 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33444199 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-1072242 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 74 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 417.762 |
logP | 6.5322 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 63.33 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 101.8523 |
Atoms | 40 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 11 |
Heteroatoms | 8 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |