MCULE-6347921417
- 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 | 14 USD | 99 | 20 working days | Get Quote |
5 mg | 14 USD | 99 | 20 working days | Get Quote |
10 mg | 14 USD | 99 | 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-6347921417.sdf |
SMILES | MCULE-6347921417.smiles |
Standard InChI | MCULE-6347921417.inchi |
InChIKey | MCULE-6347921417.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590414247 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851839304 | AmBeed | On request | N/A | As is | by synthesis |
P-596990186 | Angene | Building Blocks in stock | 99 | As is | 65 g |
P-864188738 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-3732303 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-580440459 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862052414 | FluoroChem | General BB | N/A | As is | in stock |
P-500418502 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-675211407 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-492218166 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502765515 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488547203 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-12598204 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-596593845 | Key Organics | Building Blocks | 90 | As is | 25 g |
P-31149587 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-588253980 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
P-454370944 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-23796619 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18848686 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885528581 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-453919959 | Specs | Screening Compounds | 90 | As is | 9.965 g |
P-888639098 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869125531 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-502373006 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611378523 | Toronto Research | In stock | 90 | As is | in stock |
P-464681611 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 595 mg |
P-2156820 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 595 mg |
P-666974590 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 222.238 |
logP | 3.3551 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.1705 |
Atoms | 27 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 10 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |