Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2039031254
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-2039031254.sdf |
| SMILES | MCULE-2039031254.smiles |
| Standard InChI | MCULE-2039031254.inchi |
| InChIKey | MCULE-2039031254.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867314070 | 95 | As is | by synthesis |
| P-901282964 | N/A | As is | in stock |
| P-904514087 | 95 | As is | in stock |
| P-851838522 | N/A | As is | by synthesis |
| P-901358829 | 95 | As is | by synthesis |
| P-591003042 | 95 | As is | by synthesis |
| P-619933099 | 90 | As is | by synthesis |
| P-436462197 | 95 | As is | in stock |
| P-34878934 | 90 | As is | in stock |
| P-868631883 | 95 | As is | in stock |
| P-594269574 | 90 | As is | in stock |
| P-579798721 | 90 | As is | in stock |
| P-864496721 | 90 | As is | in stock |
| P-428570719 | 90 | As is | in stock |
| P-428620793 | 90 | As is | in stock |
| P-569434042 | 95 | As is | 1.51 g |
| P-502681000 | 90 | As is | in stock |
| P-492246483 | 95 | As is | in stock |
| P-13489792 | 95 | As is | 300 mg |
| P-855974321 | 95 | As is | 5 g |
| P-852433093 | N/A | As is | in stock |
| P-895539360 | 95 | As is | by synthesis |
| P-34007558 | 90 | As is | 1.51 g |
| P-492274963 | 95 | As is | 1.51 g |
| P-23803433 | 92 | As is | 300 mg |
| P-856064537 | 95 | As is | in stock |
| P-18826789 | 90 | As is | in stock |
| P-33232308 | 90 | As is | in stock |
| P-903615383 | 94 | As is | by resynthesis (? - ? days) |
| P-888224930 | 90 | As is | 7 mg |
| P-855310555 | 90 | As is | in stock |
| P-1900149 | 90 | As is | 116 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 280.317 |
| logP | 3.7062 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 83.892 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
