Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2812121814
Compound
Show structures
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 | 29 USD | 99 | 15 working days | Get Quote |
| 5 mg | 81 USD | 98 | 20 working days | Get Quote |
| 10 mg | 136 USD | 98 | 20 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.
-
1
MCULE-7318387379
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2812121814.sdf |
| SMILES | MCULE-2812121814.smiles |
| Standard InChI | MCULE-2812121814.inchi |
| InChIKey | MCULE-2812121814.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872837566 | 99 | As is | in stock |
| P-875857733 | 99 | As is | in stock |
| P-903311106 | 99 | As is | 500 mg |
| P-893606536 | 90 | As is | 125.75 g |
| P-606950194 | N/A | As is | in stock |
| P-888827099 | 98 | As is | 500 mg |
| P-1264449220 | 98 | As is | in stock |
| P-892412355 | 99 | As is | 491 mg |
| P-854713840 | 95 | As is | in stock |
| P-867619953 | 98 | Main component | in stock |
| P-875782025 | 98 | Main component | in stock |
| P-903127630 | 98 | Main component | 250 mg |
| P-851681162 | N/A | Main component | by synthesis |
| P-875890216 | 98 | Main component | 250 mg |
| P-864263356 | 98 | Main component | by synthesis |
| P-591042027 | 98 | Main component | by synthesis |
| P-851266887 | 95 | Main component | by synthesis |
| P-860799857 | 98 | Main component | in stock |
| P-868079258 | 95 | Main component | in stock |
| P-895182141 | 95 | Main component | in stock |
| P-872672842 | 95 | Main component | in stock |
| P-868496239 | 95 | Main component | in stock |
| P-893146985 | 98 | Main component as a main component | by synthesis |
| P-1265074296 | 98 | Main component as a main component | by synthesis |
| P-474023264 | 95 | Main component as a main component | in stock |
| P-888171623 | 98 | Main component as a main component | by synthesis |
| P-579712708 | N/A | Main component as a main component | in stock |
| P-589631571 | N/A | Main component as a main component | in stock |
| P-904222434 | 95 | Main component as a main component | by synthesis |
| P-904238913 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 479.053 |
| logP | 4.6639 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 71.64 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 133.3844 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 39 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
