Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4803168741
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 | 22 USD | 98 | 16 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 77 USD | 98 | 16 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-4803168741.sdf |
| SMILES | MCULE-4803168741.smiles |
| Standard InChI | MCULE-4803168741.inchi |
| InChIKey | MCULE-4803168741.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-866725358 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-868543483 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-590715179 | BLD pharm | In-stock building blocks | 98 | As is | 52 mg |
| P-861370328 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854711460 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-878649638 | Molnova | Stock | 98 | As is | in stock |
| P-867596784 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-869318228 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-505401557 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-851931912 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-865912125 | Angene | Building Blocks in stock | 98 | As an isomer | 606 mg |
| P-872723981 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-864207361 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-860055888 | AvaChem Scientific | All products | 98 | As an isomer | by synthesis |
| P-868544183 | Axon Medchem | Axon predominantly SC catalog | 99 | As an isomer | in stock |
| P-615696557 | BLD pharm | In-stock building blocks | 98 | As an isomer | 506 mg |
| P-871219132 | BOC Sciences | All products | N/A | As an isomer | by resynthesis (? - ? days) |
| P-851278821 | Chemshuttle | On request catalog | 95 | As an isomer | by synthesis |
| P-580450649 | CliniSciences S.A.S | All products | 99 | As an isomer | in stock |
| P-608495756 | DC Chemicals Limited | Stock Products | 95 | As an isomer | in stock |
| P-854621561 | Excenen | Excenen compounds | 98 | As an isomer | in stock |
| P-870661824 | Glentham Life Sciences | Compounds typically in stock | N/A | As an isomer | in stock |
| P-502923334 | Innovapharm | Screening Compounds | 90 | As an isomer | in stock |
| P-873244820 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
| P-524166937 | Key Organics | Building Blocks | 95 | As an isomer | 10 mg |
| P-855927770 | Key Organics | Building Blocks | 97 | As an isomer | 100 mg |
| P-863723529 | MedChemExpress | Screening compounds In stock | 95 | As an isomer | in stock |
| P-872668268 | MedKoo | In stock compounds | 95 | As an isomer | in stock |
| P-888171100 | Molnova | On demand | 98 | As an isomer | by synthesis |
| P-12643644 | Otava | In-House Stock Library | 90 | As an isomer | 50 mg |
| P-19362181 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-491318562 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-579712779 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-888657811 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869162448 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-855065998 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-25654203 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 5 mg |
| P-868507910 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 356.296 |
| logP | 4.1994 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 84.15 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 87.9107 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 15 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
