MCULE-5964502579
- 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 | 18 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-5964502579.sdf |
SMILES | MCULE-5964502579.smiles |
Standard InChI | MCULE-5964502579.inchi |
InChIKey | MCULE-5964502579.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893142406 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-869326409 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-866101288 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-425204722 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-596291596 | Asinex | General screening catalog | 90 | As is | 490 mg |
P-3290038 | ChemDiv | Discovery Chemistry Library | 90 | As is | 413 mg |
P-34458130 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862146464 | FluoroChem | General BB | N/A | As is | in stock |
P-12385259 | InterBioScreen | Screening Compounds | 92 | As is | 275 mg |
P-869376964 | Matrix Scientific | All | N/A | As is | in stock |
P-863972238 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-13941951 | Pharmeks LLC | Synthetic compounds | 92 | As is | 275 mg |
P-23859089 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22659404 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888361927 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-1143947 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 405.467 |
logP | 4.8959 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 49.33 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 83.0892 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 8 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |