MCULE-4238621943
- 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 | 119 USD | 95 | 7 working days | Get Quote |
5 mg | 173 USD | 98 | 16 working days | Get Quote |
10 mg | 225 USD | 98 | 16 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-4238621943.sdf |
SMILES | MCULE-4238621943.smiles |
Standard InChI | MCULE-4238621943.inchi |
InChIKey | MCULE-4238621943.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867569908 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875729232 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874653252 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903058627 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 200 mg |
P-893590272 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.2 g |
P-851604130 | AmBeed | On request | N/A | As is | by synthesis |
P-596930247 | Angene | Building Blocks in stock | 95 | As is | 200 mg |
P-864152233 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590833098 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861384002 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-596577162 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-895199853 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-878644638 | Molnova | Stock | 98 | As is | in stock |
P-869140551 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892292683 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888646524 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
P-611417524 | Toronto Research | In stock | 90 | As is | in stock |
P-868496459 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 278.347 |
logP | 3.9528 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 34.89 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 87.281 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |