MCULE-2754666183
- 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 | 17 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.
-
1
MCULE-9278565424
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2754666183.sdf |
SMILES | MCULE-2754666183.smiles |
Standard InChI | MCULE-2754666183.inchi |
InChIKey | MCULE-2754666183.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612870566 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-584595508 | Alinda | Building Blocks | 95 | As is | in stock |
P-617322705 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851813063 | AmBeed | On request | N/A | As is | by synthesis |
P-591178595 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4148340 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-619933859 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-872749864 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580784444 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-862058296 | FluoroChem | General BB | N/A | As is | in stock |
P-855950465 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852404837 | Matrix Scientific | All | N/A | As is | in stock |
P-502440254 | TimTec | Building Block Collection | 90 | As is | in stock |
P-873218645 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888577317 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-867294217 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
P-889910739 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-851849032 | AmBeed | On request | N/A | Main component | by synthesis |
P-591048569 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-575336098 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
P-611599019 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 208.684 |
logP | 0.5234 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.2337 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 17 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |