MCULE-5268712268-0
- 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 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 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.
-
1
MCULE-5895976371-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5268712268-0.sdf |
SMILES | MCULE-5268712268-0.smiles |
Standard InChI | MCULE-5268712268-0.inchi |
InChIKey | MCULE-5268712268-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674266717 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
P-34796772 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-617744409 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 141 mg |
P-867493955 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-596346542 | Asinex | General screening catalog | 90 | Main component | 1 mg |
P-889406513 | FluoroChem | General BB | N/A | Main component | in stock |
P-852562005 | Matrix Scientific | All | N/A | Main component | in stock |
P-864055186 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-612872156 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-851805978 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
P-611086860 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
P-868570277 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
P-862059590 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
P-855951952 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 339.383 |
logP | 2.6726 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 105.09 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.1933 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 25 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |