Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4972999243
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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-4972999243.sdf |
| SMILES | MCULE-4972999243.smiles |
| Standard InChI | MCULE-4972999243.inchi |
| InChIKey | MCULE-4972999243.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867565312 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875725183 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869187395 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352778 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869232563 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-580198413 | Aldlab Chemicals | Building Block Stock | 95 | As is | 75 g |
| P-617067537 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606933116 | AmBeed | In stock | N/A | As is | in stock |
| P-489138394 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596928983 | Angene | Building Blocks in stock | 98 | As is | 2 kg |
| P-494339105 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864124677 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580708292 | BLD pharm | In-stock building blocks | 98 | As is | 3.3 kg |
| P-893233826 | Biosynth | In Stock | 95 | As is | in stock |
| P-851275182 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868560930 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889114391 | FluoroChem | In Stock BB | N/A | As is | 20 g |
| P-505511226 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502769535 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454403423 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-855997772 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-579613112 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-14554679 | Life Chemicals | Screening Compounds | 90 | As is | 221 mg |
| P-580511160 | Manchester Organics | Stock compounds | 97 | As is | 749 g |
| P-852443961 | Matrix Scientific | All | N/A | As is | in stock |
| P-35227015 | Maybridge | Screening Collection | 90 | As is | 5.072 kg |
| P-854733920 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-12317163 | Otava | In-House Stock Library | 90 | As is | 1.285 g |
| P-579716654 | Paragos | In-stock compounds | N/A | As is | in stock |
| P-500372889 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885534159 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-453914045 | Specs | Screening Compounds | 90 | As is | 14 mg |
| P-596779566 | Synthonix | In-stock Building Blocks | 98 | As is | 76.08 kg |
| P-873222236 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611479275 | Toronto Research | In stock | 90 | As is | in stock |
| P-480998873 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.043 |
| logP | 2.2357 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.4215 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
