Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2692728789-0
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-2692728789-0.sdf |
| SMILES | MCULE-2692728789-0.smiles |
| Standard InChI | MCULE-2692728789-0.inchi |
| InChIKey | MCULE-2692728789-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893596754 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.6 g |
| P-25941992 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 100 mg |
| P-500414209 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-615694932 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-580722957 | BLD pharm | In-stock building blocks | 98 | As is | 12.55 g |
| P-900268312 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-452650246 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-452651551 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-887321998 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-868594786 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579477274 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-901407807 | FluoroChem | General BB | N/A | As is | in stock |
| P-608117403 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-896629886 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854690473 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584626106 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275470 | Molnova | Stock | 98 | As is | in stock |
| P-608280492 | Molnova | Stock | 98 | As is | in stock |
| P-579710890 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-852180057 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-578167313 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-34852678 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-454680568 | ChemDiv | Building Blocks in stock | 90 | As an isomer | in stock |
| P-22425353 | ChemDiv | Discovery Chemistry Library (natural) | 90 | As an isomer | 437 mg |
| P-449432625 | ChemDiv | New Chemistry Library | 90 | As an isomer | 437 mg |
| P-436441531 | Chemical Block | Building Blocks | 90 | As an isomer | 250 mg |
| P-188175 | Chemical Block | Screening Library | 90 | As an isomer | 1.283 g |
| P-34602232 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
| P-608220919 | Glentham Life Sciences | Compounds maintained in stock | 95 | As an isomer | in stock |
| P-870663140 | Glentham Life Sciences | Compounds maintained in stock | 10 | As an isomer | in stock |
| P-854574991 | InterBioScreen | Natural Compounds | 92 | As an isomer | 300 mg |
| P-878208539 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
| P-524167803 | Key Organics | Building Blocks | 95 | As an isomer | 50 mg |
| P-500399163 | Pi Chemicals | Virtual Compounds | 98 | As an isomer | by synthesis |
| P-24011792 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-885548602 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-502328150 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-33162818 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 105 mg |
| P-1834184 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 115 mg |
| P-615451191 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 304.250 |
| logP | 1.1863 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 1 |
| PSA | 127.45 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 74.7553 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
