Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2813149515
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 | 35 USD | 98 | 16 working days | Get Quote |
| 5 mg | 35 USD | 98 | 16 working days | Get Quote |
| 10 mg | 35 USD | 98 | 16 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.
-
MCULE-1712236079
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2813149515.sdf |
| SMILES | MCULE-2813149515.smiles |
| Standard InChI | MCULE-2813149515.inchi |
| InChIKey | MCULE-2813149515.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-864228915 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-505501323 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-899990607 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-611622321 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-864317916 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-901460970 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-861387190 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-596566971 | Key Organics | Building Blocks | 97 | As a main component | 5 g |
| P-889737572 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
| P-856042641 | LaboTest | Building Blocks | 90 | As a main component | 2 g |
| P-31194747 | LaboTest | Screening Collection | 90 | As a main component | 2 g |
| P-899992634 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-619672769 | Molnova | Stock | 98 | As a main component | in stock |
| P-617401805 | Selleck Biotechnology GmbH | Product Catalog | N/A | As a main component | in stock |
| P-854989374 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.258 |
| logP | 2.2365 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.1227 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
