MCULE-3858343614
- 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 | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 67 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.
-
1
MCULE-2096182147
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3858343614.sdf |
SMILES | MCULE-3858343614.smiles |
Standard InChI | MCULE-3858343614.inchi |
InChIKey | MCULE-3858343614.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886213301 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-675398960 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-25770032 | Life Chemicals | Screening Compounds | 90 | As is | 10 mg |
P-675091182 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617605857 | Specs | Screening Compounds | 90 | As is | 115 mg |
P-617778125 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 98 mg |
P-885951575 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
P-889961373 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 349.892 |
logP | 4.8408 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 41.49 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 102.3165 |
Atoms | 52 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 28 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |