MCULE-6447363708
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 130 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.
-
1
MCULE-6554014422
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6447363708.sdf |
SMILES | MCULE-6447363708.smiles |
Standard InChI | MCULE-6447363708.inchi |
InChIKey | MCULE-6447363708.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504740617 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-24481719 | InterBioScreen | Natural Compounds | 92 | As is | 54 mg |
P-13652408 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 140 mg |
P-13279914 | Pharmeks LLC | Natural & unique compounds | 92 | As is | 54 mg |
P-888665808 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-896172803 | Specs | Screening Compounds | 90 | As is | 1 mg |
P-617740728 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 366.349 |
logP | -2.4184 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 9 |
PSA | 97.04 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.7695 |
Atoms | 47 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 25 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |