MCULE-6656164977-0
- 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-6656164977-0.sdf |
SMILES | MCULE-6656164977-0.smiles |
Standard InChI | MCULE-6656164977-0.inchi |
InChIKey | MCULE-6656164977-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867295933 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889915772 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894633697 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436471013 | Alinda | Building Blocks | 95 | As is | 18 g |
P-851394397 | AmBeed | On request | N/A | As is | by synthesis |
P-590721179 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-504735299 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454726162 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607762671 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-34802041 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580777168 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580766486 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-855976436 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852531432 | Matrix Scientific | All | N/A | As is | in stock |
P-854896135 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23872113 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491223349 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502343121 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22536178 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 25 mg |
P-855355001 | Toronto Research | In stock | 90 | As is | in stock |
P-1184587 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.066 g |
P-596526242 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.066 g |
Property | Value |
---|---|
Components | 1 |
Mass | 227.221 |
logP | 1.5734 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 118.76 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 57.5661 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |