Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5354979122
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 | 65 USD | 90 | 12 working days | Get Quote |
| 5 mg | 65 USD | 90 | 12 working days | Get Quote |
| 10 mg | 65 USD | 90 | 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.
-
MCULE-1027964944
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5354979122.sdf |
| SMILES | MCULE-5354979122.smiles |
| Standard InChI | MCULE-5354979122.inchi |
| InChIKey | MCULE-5354979122.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892852881 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-901255753 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853436688 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436469229 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851747903 | AmBeed | On request | N/A | As is | by synthesis |
| P-590927664 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454634137 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861551429 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-502505331 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855931711 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-895707095 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-502391589 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611475904 | Toronto Research | In stock | 90 | As is | in stock |
| P-886729423 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890028947 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-869201044 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-851766055 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-889810679 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-591092732 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-901549186 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-861385865 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-888620927 | Key Organics | Building Blocks | 95 | As a main component | 70.609 g |
| P-852422653 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-896078697 | Specs | Repurposed Compounds | N/A | As a main component | 56.546 g |
| P-893820472 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 146.188 |
| logP | -0.2498 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 50.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.8444 |
| Atoms | 24 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
