Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6963397848-0
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 | 10 USD | 95 | 8 working days | Get Quote |
| 5 mg | 10 USD | 95 | 8 working days | Get Quote |
| 10 mg | 10 USD | 95 | 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.
-
1
MCULE-4751903561-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6963397848-0.sdf |
| SMILES | MCULE-6963397848-0.smiles |
| Standard InChI | MCULE-6963397848-0.inchi |
| InChIKey | MCULE-6963397848-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872820413 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-524191995 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-895849038 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-889883296 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892978977 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-893110445 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-893137093 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-893135822 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-893136081 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-893138402 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-505347740 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-881671073 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-34868654 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-606879251 | AmBeed | In stock | N/A | Main component | in stock |
| P-579787965 | Apollo Scientific | In Stock | 95 | Main component | 855 g |
| P-864186242 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-580720550 | BLD pharm | In-stock building blocks | 95 | Main component | 425 g |
| P-893220746 | Biosynth | In Stock | 95 | Main component | in stock |
| P-868608605 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-868661978 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-580426638 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-889114929 | FluoroChem | In Stock BB | 98 | Main component | 107 g |
| P-608219957 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
| P-608220203 | Glentham Life Sciences | Compounds maintained in stock | 99 | Main component | in stock |
| P-500417017 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
| P-608219958 | Glentham Life Sciences | Compounds maintained in stock | 99 | Main component | in stock |
| P-870662287 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-492217557 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-596561989 | Key Organics | Building Blocks | 97 | Main component | 1.044 g |
| P-596603224 | Key Organics | Building Blocks | 95 | Main component | 109 g |
| P-873254710 | Key Organics | Screening Compounds and Fragments | 97 | Main component | 1.044 g |
| P-579613814 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-31275074 | LaboTest | Screening Collection | 90 | Main component | 10 g |
| P-856039571 | LaboTest | Building Blocks | 90 | Main component | 10 g |
| P-613284761 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-580500042 | Manchester Organics | Compounds on demand | 98 | Main component | by synthesis |
| P-852504878 | Matrix Scientific | All | N/A | Main component | in stock |
| P-863734207 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896071209 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-584614430 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608279954 | Molnova | Stock | 98 | Main component | in stock |
| P-26584099 | Otava | In-House Stock Library | 90 | Main component | 25 g |
| P-492286821 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 25 g |
| P-18886323 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-859995624 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-888433280 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-611420733 | Toronto Research | In stock | 90 | Main component | in stock |
| P-3239026 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | Main component | 93 mg |
| P-24917223 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 93 mg |
| P-575298698 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 125.553 |
| logP | 0.9205 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 27.9792 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
