MCULE-9178493266
- 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 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-9178493266.sdf |
SMILES | MCULE-9178493266.smiles |
Standard InChI | MCULE-9178493266.inchi |
InChIKey | MCULE-9178493266.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867541065 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875697726 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613848287 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19940272 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436447382 | Alinda | Building Blocks | 95 | As is | 18 g |
P-851913501 | AmBeed | On request | N/A | As is | by synthesis |
P-889802231 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591150183 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492247918 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454694173 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607763003 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-861525404 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34525971 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580426165 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-596590397 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852397686 | Matrix Scientific | All | N/A | As is | in stock |
P-854840332 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23869453 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885519880 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-896075351 | Specs | Repurposed Compounds | N/A | As is | unavailable |
P-33466137 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502342913 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888474852 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611546453 | Toronto Research | In stock | 90 | As is | in stock |
P-3234822 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.624 g |
P-1176175 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.624 g |
P-893670850 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 232.304 |
logP | 3.6861 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 97.35 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.2203 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 12 |
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 |