Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6927940328-0
Structure
Show compound
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 | 28 USD | 98 | 12 working days | Get Quote |
| 5 mg | 28 USD | 98 | 12 working days | Get Quote |
| 10 mg | 28 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.
| Name | File |
|---|---|
| SDF | MCULE-6927940328-0.sdf |
| SMILES | MCULE-6927940328-0.smiles |
| Standard InChI | MCULE-6927940328-0.inchi |
| InChIKey | MCULE-6927940328-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852188121 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-851760227 | AmBeed | On request | N/A | As is | by synthesis |
| P-872723592 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-872723540 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-591071873 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-870647997 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-524167417 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-524185662 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-596545990 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-856007388 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31197316 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-856043760 | LaboTest | Building Blocks | 90 | As is | 5 g |
| P-869092349 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-19518871 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885546306 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12273766 | Specs | Screening Compounds | 90 | As is | 1.646 g |
| P-893982424 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 280.319 |
| logP | 2.5862 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 101.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 74.0119 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
