Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2711045514
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 | 24 USD | 98 | 20 working days | Get Quote |
| 5 mg | 24 USD | 98 | 20 working days | Get Quote |
| 10 mg | 24 USD | 98 | 20 working days | Get Quote |
- 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-2711045514.sdf |
| SMILES | MCULE-2711045514.smiles |
| Standard InChI | MCULE-2711045514.inchi |
| InChIKey | MCULE-2711045514.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875743345 | N/A | As is | in stock |
| P-1265697907 | 90 | As is | by synthesis |
| P-903073698 | 98 | As is | 75 g |
| P-489225075 | 97 | As is | in stock |
| P-590991617 | 95 | As is | by synthesis |
| P-1270685294 | 90 | As an isomer | by synthesis |
| P-867585218 | N/A | As an isomer | in stock |
| P-869303408 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-590367697 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-851437999 | N/A | As an isomer | by synthesis |
| P-851670340 | N/A | As an isomer | by synthesis |
| P-597008204 | 98 | As an isomer | 10 g |
| P-1273459896 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889792309 | 95 | As an isomer | in stock |
| P-4222019 | 90 | As an isomer | 100 mg |
| P-454645472 | 90 | As an isomer | in stock |
| P-862110421 | 98 | As an isomer | 10 g |
| P-502446127 | 95 | As an isomer | by synthesis |
| P-502594844 | 90 | As an isomer | in stock |
| P-596566950 | 97 | As an isomer | 5 g |
| P-855994648 | 97 | As an isomer | 100 mg |
| P-18781149 | 90 | As an isomer | 513 mg |
| P-31179546 | 90 | As an isomer | 2 g |
| P-856043445 | 90 | As an isomer | 2 g |
| P-35239294 | 90 | As an isomer | in stock |
| P-12486264 | 90 | As an isomer | 50 mg |
| P-18833849 | 90 | As an isomer | in stock |
| P-502349669 | 90 | As an isomer | in stock |
| P-907189107 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-906760656 | 98 | As an isomer | by synthesis |
| P-855356440 | 90 | As an isomer | in stock |
| P-2266484 | 90 | As an isomer | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.193 |
| logP | 1.68678 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 70.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.1598 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
