MCULE-1114690162
- 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 | 66 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.
Name | File |
---|---|
SDF | MCULE-1114690162.sdf |
SMILES | MCULE-1114690162.smiles |
Standard InChI | MCULE-1114690162.inchi |
InChIKey | MCULE-1114690162.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867414002 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894640778 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851518847 | AmBeed | On request | N/A | As is | by synthesis |
P-611059192 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-889386536 | FluoroChem | General BB | N/A | As is | in stock |
P-890204295 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579483856 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 910 mg |
P-454357400 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-852239758 | Life Chemicals | Screening Compounds | 90 | As is | 73 mg |
P-864028845 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885518950 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-3223494 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.036 g |
P-2515799 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.036 g |
Property | Value |
---|---|
Components | 1 |
Mass | 260.314 |
logP | 2.89338 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 83.38 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 70.056 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
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 |