MCULE-1663397157
- 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 | 37 USD | 90 | 19 working days | Get Quote |
5 mg | 117 USD | 90 | 27 working days | Get Quote |
10 mg | 137 USD | 90 | 27 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-1663397157.sdf |
SMILES | MCULE-1663397157.smiles |
Standard InChI | MCULE-1663397157.inchi |
InChIKey | MCULE-1663397157.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852086084 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889916000 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-595217445 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851484482 | AmBeed | On request | N/A | As is | by synthesis |
P-590771854 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-619934748 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-454763485 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-34603121 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580770897 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580782067 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-855972698 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-580509341 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852409972 | Matrix Scientific | All | N/A | As is | in stock |
P-895668627 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23883962 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491135410 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33469584 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502347368 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611415954 | Toronto Research | In stock | 90 | As is | in stock |
P-1238904 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 180.247 |
logP | 2.5513 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 38.06 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 55.0727 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |