MCULE-5931303971
- 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 | 18 USD | 90 | 14 working days | Get Quote |
5 mg | 24 USD | N/A | 35 working days | Get Quote |
10 mg | 24 USD | N/A | 35 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-5931303971.sdf |
SMILES | MCULE-5931303971.smiles |
Standard InChI | MCULE-5931303971.inchi |
InChIKey | MCULE-5931303971.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867576861 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-590373578 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-866102296 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-436453928 | Alinda | Building Blocks | 95 | As is | 44 g |
P-851609333 | AmBeed | On request | N/A | As is | by synthesis |
P-866729255 | Apollo Scientific | In Stock | 95 | As is | 5 g |
P-896035196 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-893229410 | Biosynth | In Stock | 95 | As is | in stock |
P-504714095 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454626394 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607694747 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-34817030 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862053668 | FluoroChem | General BB | N/A | As is | in stock |
P-870657657 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-502476001 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454398498 | Key Organics | Building Blocks | 97 | As is | 17.919 g |
P-454311453 | Key Organics | Screening Compounds and Fragments | 97 | As is | 14.919 g |
P-856043052 | LaboTest | Building Blocks | 90 | As is | 2 g |
P-31179629 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-860794982 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-579723790 | Menai Organics | Building blocks | 90 | As is | in stock |
P-888164353 | Menai Organics | Screening compounds | 90 | As is | in stock |
P-23829498 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22802661 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502366092 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611459566 | Toronto Research | In stock | 90 | As is | in stock |
P-855242403 | Toronto Research | In stock | 90 | As is | in stock |
P-1188205 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 29 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 192.210 |
logP | 2.1831 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.4108 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |