Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4582129313
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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 22 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.
-
MCULE-8719793702
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4582129313.sdf |
| SMILES | MCULE-4582129313.smiles |
| Standard InChI | MCULE-4582129313.inchi |
| InChIKey | MCULE-4582129313.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659380 | 98 | As is | in stock |
| P-875827862 | N/A | As is | in stock |
| P-597027374 | 95 | As is | in stock |
| P-869183522 | 97 | As is | in stock |
| P-505351510 | 99 | As is | in stock |
| P-903202504 | 97 | As is | 500 g |
| P-905484270 | 98 | As is | 1000 mg |
| P-606949980 | N/A | As is | in stock |
| P-596971816 | 98 | As is | 5 kg |
| P-494338365 | 95 | As is | by resynthesis (? - ? days) |
| P-864085859 | 97 | As is | in stock |
| P-579721857 | N/A | As is | unavailable |
| P-851286658 | 95 | As is | by synthesis |
| P-868577512 | 98 | As is | in stock |
| P-580417289 | 95 | As is | by resynthesis (? - ? days) |
| P-889441063 | N/A | As is | 584.227 g |
| P-901368402 | 97 | As is | 32 g |
| P-872716548 | 97 | As is | 5 kg |
| P-601092944 | 95 | As is | 489 mg |
| P-601051387 | 90 | As is | 489 mg |
| P-611664617 | N/A | As is | by synthesis |
| P-500375399 | 97 | As is | by synthesis |
| P-596785238 | 95 | As is | 37 g |
| P-502373055 | 90 | As is | in stock |
| P-611356843 | 90 | As is | in stock |
| P-611356853 | 90 | As is | in stock |
| P-867590580 | 97 | As a main component | in stock |
| P-875749774 | N/A | As a main component | in stock |
| P-890252472 | 97 | As a main component | by synthesis |
| P-903080599 | 98 | As a main component | 4 kg |
| P-905483523 | 97 | As a main component | 100 g |
| P-875895137 | N/A | As a main component | in stock |
| P-606899839 | N/A | As a main component | in stock |
| P-596955826 | 98 | As a main component | 2 kg |
| P-864088837 | 97 | As a main component | in stock |
| P-580722080 | 97 | As a main component | 1.25 kg |
| P-851286657 | 95 | As a main component | by synthesis |
| P-868577925 | 97 | As a main component | in stock |
| P-580276336 | 95 | As a main component | by resynthesis (? - ? days) |
| P-862084868 | 97 | As a main component | 3.20803 kg |
| P-613276578 | 95 | As a main component | by synthesis |
| P-580496064 | N/A | As a main component | by synthesis |
| P-854732938 | 95 | As a main component | in stock |
| P-500376370 | 99 | As a main component | by synthesis |
| P-596780605 | 97 | As a main component | 1.275 kg |
| P-611356844 | 90 | As a main component | in stock |
| P-575296230 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 113.201 |
| logP | 2.2241 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.3564 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 15 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
