Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4297762533-0
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 42 USD | 90 | 17 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-4297762533-0.sdf |
| SMILES | MCULE-4297762533-0.smiles |
| Standard InChI | MCULE-4297762533-0.inchi |
| InChIKey | MCULE-4297762533-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-852099499 | A2B Chem | All | 95 | As is | in stock | April 11 |
| P-580218229 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis | April 8, 2017 |
| P-19930997 | Alinda | Stock Screening Compounds | 90 | As is | in stock | December 15, 2012 |
| P-436448348 | Alinda | Building Blocks | 95 | As is | in stock | March 29, 2017 |
| P-851886710 | AmBeed | On request | 97 | As is | by synthesis | April 1 |
| P-591061883 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis | August 30 |
| P-454636317 | ChemDiv | Building Blocks in stock | 90 | As is | in stock | March 9 |
| P-861536976 | Combi-Blocks | All products | N/A | As is | in stock | April 2 |
| P-580755547 | Crea-Chim | HTS compounds | 90 | As is | in stock | January 18, 2019 |
| P-862056022 | FluoroChem | All BB | N/A | As is | by synthesis | May 5 |
| P-579490347 | HTS Biochemie Innovationen GmbH | Stock Compounds | 95 | As is | 8.91 g | January 20 |
| P-524171951 | Key Organics | Building Blocks | 95 | As is | unavailable | September 20 |
| P-588717252 | Key Organics | Screening Compounds and Fragments | 95 | As is | unavailable | September 20 |
| P-588252369 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis | August 31 |
| P-852398499 | Matrix Scientific | All | N/A | As is | in stock | February 18 |
| P-854918074 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis | June 6 |
| P-424838010 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | July 1, 2017 |
| P-502358425 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
| P-611484840 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
| P-3224892 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | in stock | November 2, 2012 |
| P-1082574 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.272 g | September 9 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 259.684 |
| logP | 1.9627 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 56.79 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.0267 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
