MCULE-4869583923
- 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 | 20 USD | 95 | 18 working days | Get Quote |
5 mg | 20 USD | 95 | 18 working days | Get Quote |
10 mg | 20 USD | 95 | 18 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-7828529847
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4869583923.sdf |
SMILES | MCULE-4869583923.smiles |
Standard InChI | MCULE-4869583923.inchi |
InChIKey | MCULE-4869583923.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867608890 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
P-875767824 | AA Blocks | AA Blocks | N/A | As an isomer | in stock |
P-580454742 | AEchem | Building blocks | 98 | As an isomer | in stock |
P-535626535 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
P-505352312 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
P-505389116 | AK Scientific | Building Blocks | 99 | As an isomer | in stock |
P-869302661 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
P-610891018 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As an isomer | by synthesis |
P-864139529 | AstaTech | In Stock BBs | 97 | As an isomer | in stock |
P-868592601 | Combi-Blocks | Building Block in stock | 98 | As an isomer | in stock |
P-500418051 | Glentham Life Sciences | Compounds maintained in stock | 98 | As an isomer | in stock |
P-505491396 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
P-524444074 | Key Organics | Biochemicals | 97 | As an isomer | unavailable |
P-579618372 | LabSeeker, Inc | Stock Collection | 98 | As an isomer | in stock |
P-619559805 | Life Chemicals | Screening Compounds | 90 | As an isomer | 5.323 g |
P-863733538 | MedChemExpress | Screening compounds In stock | 95 | As an isomer | in stock |
P-474026521 | MedKoo | In stock compounds | 95 | As an isomer | in stock |
P-871065286 | MedKoo | In stock compounds | 95 | As an isomer | in stock |
P-888170702 | Molnova | On demand | 98 | As an isomer | by synthesis |
P-608273275 | Molnova | Stock | 98 | As an isomer | in stock |
P-881189355 | Otava | In-House Stock Library | 90 | As an isomer | 50 mg |
P-500392339 | Pi Chemicals | Virtual Compounds | 98 | As an isomer | by synthesis |
P-424875563 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-617402959 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
P-888628675 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
P-869110382 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
P-873223262 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
P-872986161 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 25 mg |
P-611527160 | Toronto Research | In stock | 90 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 239.310 |
logP | 1.6969 |
H-bond acceptors | 4 |
H-bond donors | 4 |
Rotatable bonds | 5 |
PSA | 72.72 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 67.5953 |
Atoms | 38 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 21 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |