MCULE-5237510586
- 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 | 20 USD | 98 | 22 working days | Get Quote |
5 mg | 20 USD | 98 | 22 working days | Get Quote |
10 mg | 20 USD | 98 | 22 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-5237510586.sdf |
SMILES | MCULE-5237510586.smiles |
Standard InChI | MCULE-5237510586.inchi |
InChIKey | MCULE-5237510586.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867588977 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875748244 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590355045 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19879817 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851395020 | AmBeed | On request | N/A | As is | by synthesis |
P-489222855 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590736773 | BLD pharm | Non-stock building blocks | 96 | As is | by synthesis |
P-427946662 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-10550795 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
P-868566034 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
P-34773763 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580349879 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889116116 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
P-855934096 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-31270024 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-854832117 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-631175036 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18965725 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22468095 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 155 mg |
P-611598162 | Toronto Research | In stock | 90 | As is | in stock |
P-3242741 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 201 mg |
P-893666166 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 207.268 |
logP | 2.6144 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.3892 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 17 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |