Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7626031749
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 | 17 USD | 97 | 8 working days | Get Quote |
| 5 mg | 17 USD | 97 | 8 working days | Get Quote |
| 10 mg | 17 USD | 97 | 8 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-7626031749.sdf |
| SMILES | MCULE-7626031749.smiles |
| Standard InChI | MCULE-7626031749.inchi |
| InChIKey | MCULE-7626031749.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867671619 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889953418 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869372147 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580215431 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-19871293 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436472805 | Alinda | Building Blocks | 95 | As is | 80 g |
| P-889490441 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-851147286 | BLD pharm | In-stock building blocks | 97 | As is | 1.25 g |
| P-454731427 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-874588128 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-868634817 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862069605 | FluoroChem | General BB | N/A | As is | in stock |
| P-855977280 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-31129381 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-14418988 | Life Chemicals | Screening Compounds | 90 | As is | 4 mg |
| P-852532771 | Matrix Scientific | All | N/A | As is | in stock |
| P-895660942 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12361314 | Otava | In-House Stock Library | 90 | As is | 22 mg |
| P-18865330 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889880668 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896074542 | Specs | Repurposed Compounds | N/A | As is | 4.826 g |
| P-896074040 | Specs | Repurposed Compounds | N/A | As is | 17 mg |
| P-22636058 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-888448488 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855351836 | Toronto Research | In stock | 90 | As is | in stock |
| P-544772 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 116 mg |
| P-3242431 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 116 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.160 |
| logP | 1.855 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 95.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.5997 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
