MCULE-2592987512
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-7776957407
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2592987512.sdf |
SMILES | MCULE-2592987512.smiles |
Standard InChI | MCULE-2592987512.inchi |
InChIKey | MCULE-2592987512.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590417300 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851641254 | AmBeed | On request | N/A | As is | by synthesis |
P-590967127 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-616227087 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4149427 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-861376203 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862058366 | FluoroChem | General BB | 95 | As is | in stock |
P-852417524 | Matrix Scientific | All | N/A | As is | in stock |
P-895641099 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-675100831 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502385450 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611451363 | Toronto Research | In stock | 90 | As is | in stock |
P-617782044 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.565 g |
P-617722675 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.565 g |
P-867614910 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-867494399 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-875775636 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-855947802 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 229.744 |
logP | 4.3875 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 66.8004 |
Atoms | 35 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 20 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |