MCULE-5308769461
- 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 | 25 USD | 98 | 20 working days | Get Quote |
5 mg | 25 USD | 98 | 20 working days | Get Quote |
10 mg | 25 USD | 98 | 20 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-5308769461.sdf |
SMILES | MCULE-5308769461.smiles |
Standard InChI | MCULE-5308769461.inchi |
InChIKey | MCULE-5308769461.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860605907 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-865903318 | Angene | Building Blocks in stock | 98 | As is | 200 g |
P-887328521 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889424672 | FluoroChem | General BB | N/A | As is | in stock |
P-870653347 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505493854 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-855918314 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-856045901 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31177404 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-588251990 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-864075636 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886892730 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 633.905 |
logP | 6.6101 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 66.76 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 119.4695 |
Atoms | 38 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 10 |
Heteroatoms | 8 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |