Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1871976735
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 | 33 USD | 98 | 12 working days | Get Quote |
| 5 mg | 33 USD | 98 | 12 working days | Get Quote |
| 10 mg | 55 USD | 98 | 12 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.
-
1
MCULE-5655901604
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1871976735.sdf |
| SMILES | MCULE-1871976735.smiles |
| Standard InChI | MCULE-1871976735.inchi |
| InChIKey | MCULE-1871976735.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-873246170 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-867623688 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-875786245 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-874642791 | AK Scientific | Building Blocks | 97 | Main component | in stock |
| P-872722361 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-889353806 | FluoroChem | General BB | N/A | Main component | in stock |
| P-563699967 | Key Organics | Building Blocks | 95 | Main component | 100 mg |
| P-854890458 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-13791565 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | in stock |
| P-19518852 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-868120501 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 750 mg |
| P-888621725 | Key Organics | Building Blocks | 95 | Main component as a main component | 5 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 398.378 |
| logP | 1.315 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 150.62 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 91.8093 |
| Atoms | 52 |
| Rings | 1 |
| Heavy atoms | 27 |
| Hydrogen atoms | 25 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
