MCULE-1752034684-1
- 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 | 140 USD | 95 | 21 working days | Get Quote |
5 mg | 140 USD | 95 | 21 working days | Get Quote |
10 mg | 140 USD | 95 | 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.
-
MCULE-9614200331-0
- Component type: Main
-
MCULE-5557502815-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1752034684-1.sdf |
SMILES | MCULE-1752034684-1.smiles |
Standard InChI | MCULE-1752034684-1.inchi |
InChIKey | MCULE-1752034684-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893165759 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-889907111 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-893590738 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 2 g |
P-851644576 | AmBeed | On request | N/A | As a main component | by synthesis |
P-596931825 | Angene | Building Blocks in stock | 95 | As a main component | 2 g |
P-864152083 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-590873956 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-861385694 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-596563167 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
P-575318031 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 339.575 |
logP | 6.5582 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 20 |
PSA | 40.13 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 107.6975 |
Atoms | 67 |
Rings | 0 |
Heavy atoms | 24 |
Hydrogen atoms | 43 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |