MCULE-4738697706
- 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 | 8 USD | N/A | 20 working days | Get Quote |
5 mg | 8 USD | N/A | 20 working days | Get Quote |
10 mg | 8 USD | N/A | 20 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-4738697706.sdf |
SMILES | MCULE-4738697706.smiles |
Standard InChI | MCULE-4738697706.inchi |
InChIKey | MCULE-4738697706.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867564624 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875724099 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869191450 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505390835 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-867730789 | AmBeed | On request | N/A | As is | by synthesis |
P-596987474 | Angene | Building Blocks in stock | N/A | As is | 4 kg |
P-605402396 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-868595378 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580384690 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-862112811 | FluoroChem | All BB | 96 | As is | in stock |
P-500417091 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
P-454417206 | Key Organics | Building Blocks | 95 | As is | 35.5 g |
P-454352240 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-579618275 | LabSeeker, Inc | Stock Collection | 90 | As is | in stock |
P-31249373 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-613281473 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-588250202 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852496895 | Matrix Scientific | All | N/A | As is | in stock |
P-584614950 | MedKoo | In stock compounds | 95 | As is | in stock |
P-500396077 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-885516509 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-424864984 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-13128337 | Specs | Screening Compounds | 90 | As is | 1.211 g |
P-502372494 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611383964 | Toronto Research | In stock | 90 | As is | in stock |
P-25557003 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 g |
P-886940312 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 194.228 |
logP | 2.8218 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 59.3275 |
Atoms | 25 |
Rings | 3 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |