MCULE-7788104220
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 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-7788104220.sdf |
SMILES | MCULE-7788104220.smiles |
Standard InChI | MCULE-7788104220.inchi |
InChIKey | MCULE-7788104220.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674986932 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-853441438 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893401214 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-517093391 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851644080 | AmBeed | On request | N/A | As is | by synthesis |
P-869992545 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-864220481 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590864606 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-862098735 | FluoroChem | General BB | N/A | As is | in stock |
P-31263747 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856042406 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-852579181 | Matrix Scientific | All | N/A | As is | in stock |
P-35192574 | Maybridge | Screening Collection | 90 | As is | 698 g |
P-864016830 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12968333 | Otava | In-House Stock Library | 90 | As is | 130 mg |
P-502367019 | TimTec | Building Block Collection | 90 | As is | in stock |
P-23116686 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611571478 | Toronto Research | In stock | 90 | As is | in stock |
P-424744920 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 304 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 163.216 |
logP | 2.2804 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.5277 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 13 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |