Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2742183996
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-2742183996.sdf |
| SMILES | MCULE-2742183996.smiles |
| Standard InChI | MCULE-2742183996.inchi |
| InChIKey | MCULE-2742183996.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-290732 | Chemical Block | Screening Library | 90 | As is | 54 mg |
| P-889731649 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-874437728 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-893042192 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-892794168 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-517095257 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-872942625 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-889787826 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-4170895 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 5 mg |
| P-584580391 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 6 mg |
| P-34745119 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
| P-502606080 | Innovapharm | Screening Compounds | 90 | As an isomer | in stock |
| P-31191674 | LaboTest | Screening Collection | 90 | As an isomer | unavailable |
| P-35193110 | Maybridge | Screening Collection | 90 | As an isomer | 16.558 kg |
| P-26356231 | Otava | In-House Stock Library | 90 | As an isomer | 50 mg |
| P-18828628 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-889881791 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-12337047 | Specs | Screening Compounds | 90 | As an isomer | 17 mg |
| P-502326788 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-22442855 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 40 mg |
| P-1848136 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 239 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.688 |
| logP | 2.5983 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 82.5 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.2101 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
