MCULE-3535269306
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-3535269306.sdf |
SMILES | MCULE-3535269306.smiles |
Standard InChI | MCULE-3535269306.inchi |
InChIKey | MCULE-3535269306.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886618043 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875802852 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613855690 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851733401 | AmBeed | On request | N/A | As is | by synthesis |
P-889801249 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591052992 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454687454 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15155517 | ChemDiv | Discovery Chemistry Library | 90 | As is | 15 mg |
P-436444234 | Chemical Block | Building Blocks | 90 | As is | 15.4 g |
P-345714 | Chemical Block | Screening Library | 90 | As is | 222 mg |
P-34730967 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862090401 | FluoroChem | General BB | N/A | As is | in stock |
P-454399599 | Key Organics | Building Blocks | 95 | As is | 7.806 g |
P-18804987 | Key Organics | Screening Compounds and Fragments | 95 | As is | 7.806 g |
P-852414378 | Matrix Scientific | All | N/A | As is | in stock |
P-35209344 | Maybridge | Screening Collection | 90 | As is | 1.699 kg |
P-854853045 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24066266 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22626533 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502340970 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611606504 | Toronto Research | In stock | 90 | As is | in stock |
P-2145868 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 65 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 221.277 |
logP | 2.8538 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 70.47 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.5373 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
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 |