MCULE-4928553367
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-4928553367.sdf |
SMILES | MCULE-4928553367.smiles |
Standard InChI | MCULE-4928553367.inchi |
InChIKey | MCULE-4928553367.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886655648 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875845745 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869240766 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851454144 | AmBeed | On request | N/A | As is | by synthesis |
P-590802144 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454761249 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619825841 | ChemDiv | Discovery Chemistry Library | 90 | As is | 18 mg |
P-851311723 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-34573199 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-861297837 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580769464 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580780376 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-892815085 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-860789702 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852614695 | Matrix Scientific | All | N/A | As is | in stock |
P-854869252 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23882787 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491134099 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33468264 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502345741 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855213702 | Toronto Research | In stock | 90 | As is | in stock |
P-596527636 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.05 g |
P-1235398 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.05 g |
P-893740162 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 234.171 |
logP | 2.4488 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 35.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 49.8115 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 9 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |