Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4000139231
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 | 95 | 15 working days | Get Quote |
| 5 mg | 22 USD | 95 | 15 working days | Get Quote |
| 10 mg | 22 USD | 95 | 15 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.
-
MCULE-5294240862
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4000139231.sdf |
| SMILES | MCULE-4000139231.smiles |
| Standard InChI | MCULE-4000139231.inchi |
| InChIKey | MCULE-4000139231.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867649050 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875816105 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590400313 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606924809 | AmBeed | In stock | N/A | As is | in stock |
| P-489180343 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-868831455 | Angene | Building Blocks in stock | 95 | As is | 50 g |
| P-589659582 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-596455178 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596497489 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-869383757 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-866716628 | BLD pharm | In-stock building blocks | 95 | As is | 98 g |
| P-868618276 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580406952 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-516895258 | Eximed | In-stock screening compounds | 90 | As is | 1.82 g |
| P-516919881 | Eximed | Building Block Catalog | 95 | As is | 1.82 g |
| P-861937323 | FluoroChem | General BB | N/A | As is | in stock |
| P-890216047 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590338481 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-580005397 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502983289 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-854062966 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13643489 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454385981 | Key Organics | Building Blocks | 97 | As is | 3.839 g |
| P-18813163 | Key Organics | Screening Compounds and Fragments | 97 | As is | 3.839 g |
| P-613276503 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852385666 | Matrix Scientific | All | N/A | As is | in stock |
| P-519752014 | Maybridge | Maybridge Building Blocks | 97 | As is | 7 g |
| P-428012328 | Maybridge | Screening Collection | 97 | As is | 3.342 kg |
| P-854865015 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617692017 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.82 g |
| P-26428391 | Otava | In-House Stock Library | 90 | As is | 1.82 g |
| P-454367667 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-864671749 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-19678527 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856065471 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 7.2 g |
| P-502340230 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611387403 | Toronto Research | In stock | 90 | As is | in stock |
| P-3226407 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.01 g |
| P-2156720 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.01 g |
| P-575310710 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| P-886704754 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890005291 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-869340336 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-889807812 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-617654237 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
| P-861389360 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-569435641 | Eximed | Building Block Catalog | 95 | As a main component | 15.4 g |
| P-569207170 | Eximed | In-stock screening compounds | 90 | As a main component | 15.4 g |
| P-864498687 | Eximed | In-stock screening compounds | 90 | As a main component | 13.15 g |
| P-580006222 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-580044730 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-488548715 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
| P-24446220 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
| P-674828823 | Otava | In-House Stock Library | 90 | As a main component | 15.4 g |
| P-620221129 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 15.4 g |
| P-454375421 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
| P-611387386 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.199 |
| logP | 2.6407 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 30.95 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.1734 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
