MCULE-8533069628
- 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 | 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-8533069628.sdf |
SMILES | MCULE-8533069628.smiles |
Standard InChI | MCULE-8533069628.inchi |
InChIKey | MCULE-8533069628.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893063337 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596418230 | Asinex | General screening catalog | 90 | As is | 60 mg |
P-6195176 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-4344583 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-502659013 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503062006 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-13336443 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-12383281 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-674667305 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18874657 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888358625 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-2286824 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 318 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 370.402 |
logP | 1.8317 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 98.68 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 101.1452 |
Atoms | 49 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 22 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |