Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4857649752-0
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 | 7 USD | 97 | 20 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 USD | 97 | 20 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-4857649752-0.sdf |
| SMILES | MCULE-4857649752-0.smiles |
| Standard InChI | MCULE-4857649752-0.inchi |
| InChIKey | MCULE-4857649752-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660843 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875829141 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869189355 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505351097 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505388927 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-436462468 | Alinda | Building Blocks | 95 | As is | 1000 mg |
| P-891645593 | AmBeed | In stock | N/A | As is | in stock |
| P-489145855 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-25941674 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 65 mg |
| P-596972314 | Angene | Building Blocks in stock | 97 | As is | 200 g |
| P-580192589 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-866729821 | Apollo Scientific | In Stock | 95 | As is | 230 mg |
| P-864113707 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-900154411 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-872868180 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-580727074 | BLD pharm | In-stock building blocks | 98 | As is | 161 g |
| P-900267550 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893230533 | Biosynth | In Stock | 95 | As is | in stock |
| P-505572541 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-619932665 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-577211065 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-452651640 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851250546 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-580451372 | CliniSciences S.A.S | All products | 98 | As is | in stock |
| P-579478673 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-500246439 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-580088735 | Eximed | Building Block Catalog | 95 | As is | 6.78 g |
| P-579798953 | Eximed | In-stock screening compounds | 90 | As is | 6.78 g |
| P-500417546 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-505491402 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502967529 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492246144 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488555898 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488543713 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-493678906 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-500156800 | J&W Pharmlab | In-stock compounds | 98 | As is | in stock |
| P-524443573 | Key Organics | Biochemicals | 97 | As is | 1.057 g |
| P-579612655 | LabSeeker, Inc | Stock Collection | N/A | As is | in stock |
| P-131223862 | Life Chemicals | Screening Compounds | 90 | As is | 5.002 g |
| P-580504001 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852433301 | Matrix Scientific | All | N/A | As is | in stock |
| P-854694042 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-895183236 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584619185 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275394 | Molnova | Stock | 98 | As is | in stock |
| P-492280641 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 6.78 g |
| P-34031451 | Otava | In-House Stock Library | 90 | As is | 6.78 g |
| P-454363659 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500400805 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-856072371 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 6.78 g |
| P-18850617 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-579710083 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-516409019 | Specs | Natural Products | 80 | As is | 35 mg |
| P-892225371 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869175882 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892289847 | TargetMol | In Stock BB | 95 | As is | 809 mg |
| P-892319257 | TargetMol | Screening Compounds - stock amount | 95 | As is | 809 mg |
| P-873223269 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33162525 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
| P-611366002 | Toronto Research | In stock | 90 | As is | in stock |
| P-855010886 | Toronto Research | In stock | 90 | As is | in stock |
| P-855010887 | Toronto Research | In stock | 90 | As is | in stock |
| P-855010888 | Toronto Research | In stock | 90 | As is | in stock |
| P-2252558 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.008 g |
| P-3227314 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.008 g |
| P-615398545 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 270.236 |
| logP | 2.5768 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 90.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.989 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
