Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1243123677
Compound
Show structures
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 51 USD | 90 | 17 working days | Get Quote |
| 10 mg | 65 USD | 90 | 17 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-1243123677.sdf |
| SMILES | MCULE-1243123677.smiles |
| Standard InChI | MCULE-1243123677.inchi |
| InChIKey | MCULE-1243123677.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886655469 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889952385 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-578186928 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436462563 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851890993 | AmBeed | On request | N/A | As is | by synthesis |
| P-889801351 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591055564 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-454713842 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449461836 | ChemDiv | New Chemistry Library | 90 | As is | 402 mg |
| P-861344093 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580391392 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-428592157 | Eximed | In-stock screening compounds | 90 | As is | 3.64 g |
| P-864496747 | Eximed | In-stock screening compounds | 90 | As is | 4.87 g |
| P-516919788 | Eximed | Building Block Catalog | 95 | As is | 3.64 g |
| P-889328701 | FluoroChem | General BB | N/A | As is | in stock |
| P-890207821 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579497847 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-492245560 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502973568 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502530876 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488552315 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13773907 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-563681163 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-613319788 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-460545597 | Life Chemicals | Screening Compounds | 90 | As is | 30.393 g |
| P-852433376 | Matrix Scientific | All | N/A | As is | in stock |
| P-852507243 | Matrix Scientific | All | N/A | As is | in stock |
| P-854857489 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492280361 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 5.14 g |
| P-34031162 | Otava | In-House Stock Library | 90 | As is | 5.14 g |
| P-454372872 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-445321122 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-19646079 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856066442 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 5.14 g |
| P-855247999 | Toronto Research | In stock | 90 | As is | in stock |
| P-2723522 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.143 g |
| P-464687340 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.143 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.235 |
| logP | 1.4541 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 64.21 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.2777 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| 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 |
