MCULE-8619228835
- 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 | 59 USD | 95 | 8 working days | Get Quote |
5 mg | 59 USD | 95 | 8 working days | Get Quote |
10 mg | 59 USD | 95 | 8 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.
Name | File |
---|---|
SDF | MCULE-8619228835.sdf |
SMILES | MCULE-8619228835.smiles |
Standard InChI | MCULE-8619228835.inchi |
InChIKey | MCULE-8619228835.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852134759 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890176476 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851401647 | AmBeed | On request | N/A | As is | by synthesis |
P-494332965 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889747845 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 15 g |
P-590727494 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454411645 | Key Organics | Building Blocks | 95 | As is | 7.676 g |
P-18810812 | Key Organics | Screening Compounds and Fragments | 95 | As is | 7.676 g |
P-467910160 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-601046011 | Life Chemicals | Screening Compounds | 90 | As is | 130 mg |
P-852415492 | Matrix Scientific | All | N/A | As is | in stock |
P-869024449 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502402852 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855246838 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 223.657 |
logP | 1.4721 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 50.94 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.9088 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |