Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2603291254
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.
|
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 | 35 USD | 98 | 8 working days | Get Quote |
| 5 mg | 35 USD | 98 | 8 working days | Get Quote |
| 10 mg | 35 USD | 98 | 8 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.
| Name | File |
|---|---|
| SDF | MCULE-2603291254.sdf |
| SMILES | MCULE-2603291254.smiles |
| Standard InChI | MCULE-2603291254.inchi |
| InChIKey | MCULE-2603291254.txt |
| mcule product ID | Supplier | Catalog | Purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-505351234 | AK Scientific | Building Blocks | 98 | As is | in stock | July 13, 2018 |
| P-505389163 | AK Scientific | Building Blocks | 98 | As is | in stock | July 13, 2018 |
| P-580195088 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock | July 7, 2017 |
| P-489104366 | Aronis | Building blocks | 95 | As is | 500 g | September 25, 2017 |
| P-500119345 | Chiralstar | Chiralstar Building Blocks | 97 | As is | in stock | May 9, 2017 |
| P-505492222 | Hangzhou Apichem | All products | 95 | As is | in stock | June 30, 2017 |
| P-488555929 | InterBioScreen | Bioactive compounds | 90 | As is | in stock | October 1, 2016 |
| P-488543412 | InterBioScreen | Building Blocks | 90 | As is | in stock | March 1, 2017 |
| P-454364550 | Pharmeks | Building Blocks | 92 | As is | in stock | July 21, 2017 |
| P-500375625 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis | August 8, 2017 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.427 |
| logP | 1.7658 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 91.67 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 96.0986 |
| Atoms | 52 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 26 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
