Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2645744983
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 36 USD | 95 | 10 working days | Get Quote |
| 10 mg | 36 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.
-
MCULE-2868785125
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2645744983.sdf |
| SMILES | MCULE-2645744983.smiles |
| Standard InChI | MCULE-2645744983.inchi |
| InChIKey | MCULE-2645744983.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612939383 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851559097 | AmBeed | On request | N/A | As is | by synthesis |
| P-595588148 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596482028 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-590906408 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492266347 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-872448513 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-4292273 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-868568634 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-888750804 | Eximed | In-stock screening compounds | 90 | As is | 5 g |
| P-861948596 | FluoroChem | General BB | N/A | As is | in stock |
| P-502485548 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503491202 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502757243 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855946505 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852381874 | Matrix Scientific | All | N/A | As is | in stock |
| P-854929025 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-856064465 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 6.92 g |
| P-888665206 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23297568 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-611407429 | Toronto Research | In stock | 90 | As is | in stock |
| P-675257248 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-502584118 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-675527699 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-613332467 | Life Chemicals | Building Blocks - virtual | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.250 |
| logP | 0.7079 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.1865 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
