Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3042690743
Compound
Show structures
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 | 17 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-3042690743.sdf |
| SMILES | MCULE-3042690743.smiles |
| Standard InChI | MCULE-3042690743.inchi |
| InChIKey | MCULE-3042690743.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-34883292 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-489150820 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-861285445 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-870654514 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-500417583 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-500418421 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
| P-505491630 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502890477 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524185062 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-855926512 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-856044514 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31179500 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-12706783 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-13906238 | Pharmeks LLC | Semi-natural compounds | 92 | As is | in stock |
| P-888681000 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-19028773 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23969843 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889884555 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-885530814 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33162591 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-1255958 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 345 mg |
| P-578105952 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.241 |
| logP | -2.1055 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 2 |
| PSA | 159.51 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.4995 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
