Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7122077029
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 | 18 USD | 95 | 10 working days | Get Quote |
| 5 mg | 18 USD | 95 | 10 working days | Get Quote |
| 10 mg | 18 USD | 95 | 10 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-7122077029.sdf |
| SMILES | MCULE-7122077029.smiles |
| Standard InChI | MCULE-7122077029.inchi |
| InChIKey | MCULE-7122077029.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875896556 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-489161593 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-872724271 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-866729721 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864138485 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-505572693 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-868594510 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-870662241 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-500417796 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-524443814 | Key Organics | Biochemicals | 97 | As is | 1.137 g |
| P-889735507 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-474024947 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275170 | Molnova | Stock | 98 | As is | in stock |
| P-500373545 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885543628 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-888626903 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107878 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.249 |
| logP | 0.9183 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 91.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.1488 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
