Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3405447576-0
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 | 97 | 8 working days | Get Quote |
| 5 mg | 5 USD | 97 | 8 working days | Get Quote |
| 10 mg | 5 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-3405447576-0.sdf |
| SMILES | MCULE-3405447576-0.smiles |
| Standard InChI | MCULE-3405447576-0.inchi |
| InChIKey | MCULE-3405447576-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875744212 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-875749786 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489117716 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889740869 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 70 g |
| P-580710779 | BLD pharm | In-stock building blocks | 97 | As is | 3.2 kg |
| P-590599156 | BLD pharm | In-stock building blocks | 98 | As is | 1.065 kg |
| P-881633520 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-868610647 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-608097682 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852603685 | Matrix Scientific | All | N/A | As is | in stock |
| P-854690586 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-878641676 | Molnova | Stock | 98 | As is | in stock |
| P-619672915 | Molnova | Stock | 98 | As is | in stock |
| P-893137169 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-867585746 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-867590674 | A2B Chem | Predominantly Building Block in stock | 97 | As an isomer | in stock |
| P-869194807 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-505347632 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-505388589 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-881671443 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-893593218 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 1.00102 kg |
| P-888208623 | Alinda | Building Blocks | 95 | As an isomer | 26 g |
| P-425203535 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-606896712 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-606886448 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596954194 | Angene | Building Blocks in stock | 98 | As an isomer | 800 g |
| P-596976617 | Angene | Building Blocks in stock | 98 | As an isomer | 4 kg |
| P-901329091 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-494329324 | Apollo Scientific | On request | 95 | As an isomer | by resynthesis (? - ? days) |
| P-494351315 | Apollo Scientific | In Stock | 95 | As an isomer | 18 g |
| P-869991939 | Asinex | General screening catalog | 90 | As an isomer | 1000 mg |
| P-864183656 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-864184834 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-893225626 | Biosynth | In Stock | 95 | As an isomer | in stock |
| P-893226252 | Biosynth | In Stock | 95 | As an isomer | in stock |
| P-4166987 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 100 mg |
| P-3283577 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 657 mg |
| P-575334542 | EvoBlocks | In-stock Building Blocks | 95 | As an isomer | in stock |
| P-889115318 | FluoroChem | In Stock BB | N/A | As an isomer | 200 g |
| P-870661151 | Glentham Life Sciences | Compounds typically in stock | N/A | As an isomer | in stock |
| P-870661774 | Glentham Life Sciences | Compounds typically in stock | N/A | As an isomer | in stock |
| P-505506251 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-502452733 | Innovapharm | Virtual Building Blocks | 95 | As an isomer | by synthesis |
| P-503627901 | Innovapharm | Virtual Screening Compounds | 90 | As an isomer | by synthesis |
| P-488556068 | InterBioScreen | Bioactive compounds | 92 | As an isomer | in stock |
| P-488545850 | InterBioScreen | Building Blocks | 90 | As an isomer | in stock |
| P-454408434 | Key Organics | Building Blocks | 95 | As an isomer | 500 g |
| P-454332765 | Key Organics | Screening Compounds and Fragments | 95 | As an isomer | 100 mg |
| P-856044435 | LaboTest | Building Blocks | 90 | As an isomer | unavailable |
| P-31247530 | LaboTest | Screening Collection | 90 | As an isomer | unavailable |
| P-580483117 | Manchester Organics | Compounds on demand | 97 | As an isomer | by synthesis |
| P-620013359 | Otava | In-House Stock Library | 90 | As an isomer | 1000 mg |
| P-620220276 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As an isomer | 1000 mg |
| P-454365915 | Pharmeks LLC | Building Blocks | 92 | As an isomer | in stock |
| P-445287845 | Pharmeks LLC | Synthetic compounds | 92 | As an isomer | 300 mg |
| P-19392176 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-885523581 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-535691123 | Rieke Metals | Natural Compounds | N/A | As an isomer | in stock |
| P-617403316 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-896077840 | Specs | Repurposed Compounds | N/A | As an isomer | 2.307 g |
| P-596767210 | Synthonix | In-stock Building Blocks | 95 | As an isomer | 10.895 kg |
| P-892242563 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-594273181 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892292976 | TargetMol | In Stock BB | 95 | As an isomer | 1000 mg |
| P-892293350 | TargetMol | In Stock BB | 95 | As an isomer | 1.001 g |
| P-892328468 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 1000 mg |
| P-892330797 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 1.001 g |
| P-22815781 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
| P-502366739 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-892669549 | TimTec | ActiMol 4 Week - On demand | 94 | As an isomer | by resynthesis (? - ? days) |
| P-875193940 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 3 mg |
| P-875194791 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 3 mg |
| P-855011977 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-25050973 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 1.188 g |
| P-3227329 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As an isomer | 1.188 g |
| P-893987107 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.254 |
| logP | 3.5827 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.2485 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
