MCULE-3551661109-2
- 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 | 6 USD | N/A | 14 working days | Get Quote |
5 mg | 6 USD | N/A | 14 working days | Get Quote |
10 mg | 6 USD | N/A | 14 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-2549466143-0
- Component type: Main
-
MCULE-7462330729-0
- Component type: Main
-
MCULE-6977928365-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3551661109-2.sdf |
SMILES | MCULE-3551661109-2.smiles |
Standard InChI | MCULE-3551661109-2.inchi |
InChIKey | MCULE-3551661109-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875727429 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869192991 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-616208286 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-851798761 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851930373 | AmBeed | In stock | N/A | As a main component | in stock |
P-619178706 | Angene | Building Blocks in stock | 95 | As a main component | 2.06041 kg |
P-864163161 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-861285916 | Chiralstar | Chiralstar Building Blocks | 95 | As a main component | in stock |
P-854977021 | Toronto Research | In stock | 90 | As a main component | in stock |
P-666969697 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 345.206 |
logP | -0.4054 |
H-bond acceptors | 12 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 201.54 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 70.5195 |
Atoms | 35 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 12 |
Heteroatoms | 13 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |