MCULE-3317081728-0
- 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 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-3317081728-0.sdf |
SMILES | MCULE-3317081728-0.smiles |
Standard InChI | MCULE-3317081728-0.inchi |
InChIKey | MCULE-3317081728-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596469467 | Asinex | General screening catalog | 90 | As is | 79 mg |
P-607698465 | ChemDiv | Discovery Chemistry Library | 90 | As is | 18 mg |
P-502818959 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-19221958 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23342058 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-888373112 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-974532 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 17 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 319.373 |
logP | 2.4659 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 64.93 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 95.3915 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 22 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |