MCULE-7027302317
- 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 | 67 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.
-
MCULE-5092653812
- Component type: Main
-
MCULE-8123903645
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7027302317.sdf |
SMILES | MCULE-7027302317.smiles |
Standard InChI | MCULE-7027302317.inchi |
InChIKey | MCULE-7027302317.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851723663 | AmBeed | On request | N/A | As is | by synthesis |
P-611118678 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-885957003 | A2B Chem | Predominantly Building Block on demand | 90 | As a main component | by synthesis |
P-867416088 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-894628997 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851635068 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851758205 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611176678 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-611210056 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-889357455 | FluoroChem | General BB | N/A | As a main component | in stock |
P-488554301 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
P-24477220 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-854895885 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-454374846 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
P-445287788 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
P-889853094 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-675129556 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-675131493 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-617792672 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 105 mg |
P-617792895 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 55 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 185.249 |
logP | 1.5121 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 96.25 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 48.9071 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 11 |
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 |