Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3170213829-0
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 | 14 USD | 90 | 20 working days | Get Quote |
| 5 mg | 14 USD | 90 | 20 working days | Get Quote |
| 10 mg | 14 USD | 90 | 20 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.
-
1
MCULE-1145207013-0
- Component type: Main
-
1
MCULE-4684386765-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3170213829-0.sdf |
| SMILES | MCULE-3170213829-0.smiles |
| Standard InChI | MCULE-3170213829-0.inchi |
| InChIKey | MCULE-3170213829-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867600036 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875757538 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-888815782 | Angene | Building Blocks in stock | 95 | As is | 20 mg |
| P-894008587 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-852076953 | A2B Chem | Predominantly Building Block on demand | 90 | Main component | by synthesis |
| P-901259269 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869245129 | AK Scientific | Building Blocks | 90 | Main component | in stock |
| P-893576003 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 50 g |
| P-881623778 | AmBeed | On request | N/A | Main component | by synthesis |
| P-899951786 | AmBeed | On request | N/A | Main component | by synthesis |
| P-865910708 | Angene | Building Blocks in stock | 90 | Main component | 2 kg |
| P-896036857 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-890231952 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-4208131 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 100 mg |
| P-868612703 | Combi-Blocks | Building Block in stock | 90 | Main component | in stock |
| P-579718166 | Epsilon Chimie | Epsilon Chimie general catalog | 95 | Main component | in stock |
| P-856011663 | LaboTest | Screening Collection | 90 | Main component | 500 mg |
| P-580485474 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852604318 | Matrix Scientific | All | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 353.434 |
| logP | 3.9516 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 97.83 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 98.8998 |
| Atoms | 59 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 36 |
| Heteroatoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
