MCULE-4886826408
- 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 | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-4886826408.sdf |
SMILES | MCULE-4886826408.smiles |
Standard InChI | MCULE-4886826408.inchi |
InChIKey | MCULE-4886826408.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852136057 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889949815 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894657612 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436452562 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851478783 | AmBeed | On request | N/A | As is | by synthesis |
P-590763971 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4560484 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-454617061 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-448835749 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-861535991 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862063394 | FluoroChem | General BB | N/A | As is | in stock |
P-855971667 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852406589 | Matrix Scientific | All | N/A | As is | in stock |
P-854928693 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873219687 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855303219 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 262.347 |
logP | 2.318 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 33.73 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.6187 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 22 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |