MCULE-4248271203
- 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 | 32 USD | 95 | 14 working days | Get Quote |
5 mg | 32 USD | 95 | 14 working days | Get Quote |
10 mg | 32 USD | 95 | 14 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-1747111435
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4248271203.sdf |
SMILES | MCULE-4248271203.smiles |
Standard InChI | MCULE-4248271203.inchi |
InChIKey | MCULE-4248271203.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886569372 | A2B Chem | Predominantly Building Block in stock | 96 | As is | in stock |
P-890147819 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874609628 | AK Scientific | Building Blocks | 96 | As is | in stock |
P-865911987 | Angene | Building Blocks in stock | 97 | As is | 3 g |
P-864211419 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-855919220 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-863719507 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-611451143 | Toronto Research | In stock | 90 | As is | in stock |
P-868535516 | eNovation Chemicals LLC | Building Blocks in stock | 96 | As is | in stock |
P-454392177 | Key Organics | Building Blocks | 95 | As a main component | 18.088 g |
P-579456189 | Key Organics | Building Blocks | 97 | As a main component | 250 mg |
P-454299743 | Key Organics | Screening Compounds and Fragments | 95 | As a main component | 18.088 g |
Property | Value |
---|---|
Components | 1 |
Mass | 205.296 |
logP | 2.64 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 32.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 63.1197 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 19 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |