MCULE-7206232774
- 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 | 63 USD | 90 | 21 working days | Get Quote |
5 mg | 101 USD | 90 | 21 working days | Get Quote |
10 mg | 121 USD | 90 | 21 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-7206232774.sdf |
SMILES | MCULE-7206232774.smiles |
Standard InChI | MCULE-7206232774.inchi |
InChIKey | MCULE-7206232774.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867313197 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889939056 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436475421 | Alinda | Building Blocks | 95 | As is | in stock |
P-851762381 | AmBeed | On request | N/A | As is | by synthesis |
P-590947081 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577156889 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861526905 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502512619 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563687490 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-852534799 | Matrix Scientific | All | N/A | As is | in stock |
P-895669132 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492277160 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 4.494 g |
P-12461296 | Otava | In-House Stock Library | 90 | As is | 4.494 g |
P-19823737 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611376709 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 244.674 |
logP | 4.3116 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 52.05 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 68.8594 |
Atoms | 26 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |