Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2087573721-0
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 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-2087573721-0.sdf |
| SMILES | MCULE-2087573721-0.smiles |
| Standard InChI | MCULE-2087573721-0.inchi |
| InChIKey | MCULE-2087573721-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860638191 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889924661 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613856004 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851404215 | AmBeed | On request | N/A | As is | by synthesis |
| P-489239974 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889812847 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590731768 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577179239 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-861395926 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-492216788 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596586649 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-500223316 | LeadGen Labs | In-stock compounds | 96 | As is | in stock |
| P-588254815 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852422350 | Matrix Scientific | All | N/A | As is | in stock |
| P-854843638 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620066211 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620222947 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-18949825 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522945 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22816502 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502352273 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611599710 | Toronto Research | In stock | 90 | As is | in stock |
| P-3219647 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 4.742 g |
| P-3243470 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 4.742 g |
| P-526812 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.742 g |
| P-893822278 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.186 |
| logP | 2.321 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 95.15 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.336 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
