Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5742121668-0
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.
|
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 | 25 USD | 95 | 5 working days | Get Quote |
| 5 mg | 25 USD | 95 | 5 working days | Get Quote |
| 10 mg | 25 USD | 95 | 5 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-8132720478-0
- Component type: Main
-
MCULE-3470170095-0
- Component type: Main
-
MCULE-3537417046-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5742121668-0.sdf |
| SMILES | MCULE-5742121668-0.smiles |
| Standard InChI | MCULE-5742121668-0.inchi |
| InChIKey | MCULE-5742121668-0.txt |
| mcule product ID | Supplier | Catalog | Purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-498550465 | ACB Blocks | ACB Stock compounds | 95 | As is | in stock | April 17, 2017 |
| P-492295339 | Advamacs (TriMen Chemicals) | All | 95 | As is | in stock | June 9, 2017 |
| P-580237954 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis | April 8, 2017 |
| P-489147883 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock | December 20, 2016 |
| P-494347964 | Apollo Scientific | Intermediates for RD in stock | 95 | As is | in stock | August 1, 2017 |
| P-551967928 | Ark Pharm Inc. | In-stock Building Blocks | 97 | As is | in stock | May 1, 2018 |
| P-489853480 | Azepine | Azepine Building Blocks by synthesis | 95 | As is | by synthesis | June 23, 2017 |
| P-580728133 | BLD pharm | Building Blocks | 97 | As is | 155 g | November 25 |
| P-505466583 | BOCSCI | All products | 97 | As is | in stock | July 6, 2017 |
| P-580172347 | Bide Pharmatech | Bide Pharmatech In Stock | 97 | As is | in stock | July 7, 2017 |
| P-454645310 | ChemDiv | Building Blocks | 90 | As is | unavailable | 8 hours ago |
| P-584375096 | ChemScene | Stock compounds | 98 | As is | in stock | April 14 |
| P-500107709 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock | May 9, 2017 |
| P-580417180 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) | May 31, 2018 |
| P-589878778 | Enamine | Rush delivery building blocks | 95 | As is | in stock | October 18 |
| P-486743963 | Enamine | Building Blocks | 95 | As is | in stock | 8 hours ago |
| P-489260020 | EvoBlocks | Building blocks by synthesis | 95 | As is | by synthesis | March 15, 2017 |
| P-575337152 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock | August 15, 2018 |
| P-590287412 | HTS Biochemie Innovationen GmbH | Building Blocks - small amounts | 95 | As is | 5 g | November 1 |
| P-590337631 | HTS Biochemie Innovationen GmbH | Building Blocks | 95 | As is | 5 g | November 1 |
| P-505491181 | Hangzhou Apichem | All products | 95 | As is | in stock | June 30, 2017 |
| P-14042448 | InFarmatik | Building Blocks | 90 | As is | no data | October 11, 2012 |
| P-563559336 | Key Organics | Building Blocks | 95 | As is | unavailable | November 28 |
| P-524186594 | Key Organics | Building Blocks | 95 | As is | unavailable | November 28 |
| P-18813935 | Key Organics | Screening Compounds and Fragments | 90 | As is | 886 mg | November 28 |
| P-579620342 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock | August 11, 2017 |
| P-580514714 | Manchester Organics | Stock compounds | 95 | As is | in stock | July 17, 2017 |
| P-500399952 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis | August 8, 2017 |
| P-491252757 | Princeton Biomolecular Research | Building Block Libraries | 90 | As is | in stock | August 1, 2017 |
| P-590436345 | eNovation Chemicals LLC | Building Blocks | 97 | As is | in stock | November 11 |
| P-563657236 | Key Organics | Building Blocks | 95 | As a main component | unavailable | November 28 |
| P-524190821 | Key Organics | Building Blocks | 97 | As a main component | unavailable | November 28 |
| P-524199539 | Key Organics | Building Blocks | 95 | As a main component | unavailable | November 28 |
| P-580510645 | Manchester Organics | Stock compounds | 95 | As a main component | in stock | July 17, 2017 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 148.205 |
| logP | 1.8349 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 24.92 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.2267 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
