Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6169305842
Compound
Show structures
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-6169305842.sdf |
| SMILES | MCULE-6169305842.smiles |
| Standard InChI | MCULE-6169305842.inchi |
| InChIKey | MCULE-6169305842.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867672207 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-869306653 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-517095260 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-4189909 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-503137282 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502595833 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12502021 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-14179522 | Life Chemicals | Screening Compounds | 90 | As is | 161 mg |
| P-12331712 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-617683685 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.99 g |
| P-13380987 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18834831 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-505617540 | Ramidus | In stock compounds | 95 | As is | in stock |
| P-23352578 | Specs | Screening Compounds | 90 | As is | 2.061 g |
| P-502326608 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22458571 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-1848113 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 398 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.244 |
| logP | 1.6505 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 102.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.2231 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
