MCULE-6124243659
- 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.
-
MCULE-1311798850
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6124243659.sdf |
SMILES | MCULE-6124243659.smiles |
Standard InChI | MCULE-6124243659.inchi |
InChIKey | MCULE-6124243659.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892451238 | Asinex | General screening catalog | 90 | As a main component | 17 mg |
P-24253922 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-13527636 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
P-675101117 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-617602397 | Specs | Screening Compounds | 90 | As a main component | 39 mg |
P-617780188 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 186 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 323.428 |
logP | 3.7839 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 29.54 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 100.333 |
Atoms | 49 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 25 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |