Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9489716744
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 39 USD | 90 | 19 working days | Get Quote |
| 5 mg | 57 USD | 90 | 19 working days | Get Quote |
| 10 mg | 71 USD | 90 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-9489716744.sdf |
| SMILES | MCULE-9489716744.smiles |
| Standard InChI | MCULE-9489716744.inchi |
| InChIKey | MCULE-9489716744.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892852119 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-890137029 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853435659 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903007626 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 3 g |
| P-886887294 | AmBeed | In stock | N/A | As is | in stock |
| P-888812861 | Angene | Building Blocks in stock | 97 | As is | 3 g |
| P-889789062 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890245492 | BLD pharm | In-stock building blocks | 97 | As is | 2.17 g |
| P-901439458 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-454745970 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15158313 | ChemDiv | Discovery Chemistry Library | 90 | As is | 26 mg |
| P-436445097 | Chemical Block | Building Blocks | 90 | As is | 1.897 g |
| P-357536 | Chemical Block | Screening Library | 90 | As is | 226 mg |
| P-851295169 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-893624079 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34734170 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580375968 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-580046582 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-500180370 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
| P-596604924 | LeadGen Labs | In-stock compounds | 96 | As is | in stock |
| P-854925925 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-856073071 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
| P-24068179 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-904082676 | Synthonix | In-stock Building Blocks | 98 | As is | 490 mg |
| P-22629888 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502359647 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-424751265 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 114 mg |
| P-615466712 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.224 |
| logP | 0.9535 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 68.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 57.3158 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| 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 |
