Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1696137032-0
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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 14 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-1696137032-0.sdf |
| SMILES | MCULE-1696137032-0.smiles |
| Standard InChI | MCULE-1696137032-0.inchi |
| InChIKey | MCULE-1696137032-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867576180 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875736684 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193632 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505347840 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-596983448 | Angene | Building Blocks in stock | 98 | As is | 4.5 kg |
| P-494349083 | Apollo Scientific | In Stock | 95 | As is | 294.736 kg |
| P-864187473 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-889740688 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 700 g |
| P-893225349 | Biosynth | In Stock | 95 | As is | in stock |
| P-868610851 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-34459267 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580420621 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-881676229 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
| P-862010790 | FluoroChem | General BB | 95 | As is | in stock |
| P-890206165 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579489021 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 20.68 g |
| P-492217480 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454399516 | Key Organics | Building Blocks | 95 | As is | 90.616 g |
| P-454313353 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.416 g |
| P-856042323 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31195821 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613282681 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-855402402 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-492278865 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 30 g |
| P-12633221 | Otava | In-House Stock Library | 90 | As is | 30 g |
| P-34143707 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885547110 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896080156 | Specs | Repurposed Compounds | N/A | As is | 7.789 g |
| P-22660056 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502352712 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611376172 | Toronto Research | In stock | 90 | As is | in stock |
| P-1144387 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 53 mg |
| P-480893362 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.564 |
| logP | 2.0382 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.4113 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
