MCULE-7171373501
- 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 | 9 USD | 97 | 9 working days | Get Quote |
5 mg | 9 USD | 97 | 9 working days | Get Quote |
10 mg | 9 USD | 97 | 9 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-7171373501.sdf |
SMILES | MCULE-7171373501.smiles |
Standard InChI | MCULE-7171373501.inchi |
InChIKey | MCULE-7171373501.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875766442 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869257181 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606858044 | AmBeed | In stock | N/A | As is | in stock |
P-597003027 | Angene | Building Blocks in stock | 97 | As is | 23.9 g |
P-596660115 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-864132772 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-616202624 | BLD pharm | In-stock building blocks | 97 | As is | 12.6 g |
P-505593848 | Chemcia | Stock compounds | 95 | As is | in stock |
P-851306381 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887967111 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
P-34816829 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580784696 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580772028 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-580321360 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862088177 | FluoroChem | General BB | N/A | As is | in stock |
P-454404591 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-855998360 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-580463752 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854750399 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-579713225 | Paragos | In-stock compounds | N/A | As is | in stock |
P-888883464 | PharmaBlock | In stock | N/A | As is | in stock |
P-491223809 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-24110924 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596775249 | Synthonix | In-stock Building Blocks | 95 | As is | 84.79 g |
P-33471858 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502358342 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611571773 | Toronto Research | In stock | 90 | As is | in stock |
P-35146444 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 100 mg |
P-615416940 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 164.118 |
logP | 1.69528 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 89.84 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 42.002 |
Atoms | 16 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 4 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |