Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5197596883
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 | 10 USD | 99 | 14 working days | Get Quote |
| 5 mg | 26 USD | 99 | 15 working days | Get Quote |
| 10 mg | 31 USD | 95 | 7 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.
-
MCULE-8432750022
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5197596883.sdf |
| SMILES | MCULE-5197596883.smiles |
| Standard InChI | MCULE-5197596883.inchi |
| InChIKey | MCULE-5197596883.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653390 | 99 | As is | in stock |
| P-875820939 | 99 | As is | in stock |
| P-869252700 | 95 | As is | by resynthesis (? - ? days) |
| P-903183110 | 99 | As is | 1000 mg |
| P-1264053385 | 99 | As is | in stock |
| P-893509256 | 90 | As is | 7.838 g |
| P-1270281741 | 99 | As is | in stock |
| P-606928658 | N/A | As is | in stock |
| P-865924422 | 99 | As is | 1000 mg |
| P-1273457100 | 95 | As is | by resynthesis (? - ? days) |
| P-864191897 | 95 | As is | in stock |
| P-616205497 | 99 | As is | 2.109 g |
| P-504766086 | 90 | As is | 1 mg |
| P-590558635 | 90 | As is | 18 mg |
| P-19995789 | 90 | As is | in stock |
| P-871212135 | 95 | As is | by synthesis |
| P-861365446 | 95 | As is | by synthesis |
| P-34762740 | 90 | As is | by synthesis |
| P-608496344 | 95 | As is | in stock |
| P-901408692 | 99 | As is | 1000 mg |
| P-502445573 | 95 | As is | by synthesis |
| P-855927493 | 97 | As is | 5 mg |
| P-31183563 | 90 | As is | 2 g |
| P-613284129 | 95 | As is | by synthesis |
| P-1272595893 | 95 | As is | 100 mg |
| P-852505544 | 95 | As is | by synthesis |
| P-854715749 | 95 | As is | in stock |
| P-872672826 | 95 | As is | in stock |
| P-619672850 | 98 | As is | in stock |
| P-1263957695 | 90 | As is | in stock |
| P-889866841 | 95 | As is | by synthesis |
| P-23898295 | 90 | As is | in stock |
| P-617401715 | 98 | As is | in stock |
| P-892295664 | 95 | As is | unavailable |
| P-594274041 | 95 | As is | 50 mg |
| P-888656655 | 95 | As is | 50 mg |
| P-22910292 | 90 | As is | in stock |
| P-888551283 | 94 | As is | by resynthesis (? - ? days) |
| P-855254141 | 90 | As is | in stock |
| P-1092797 | 90 | As is | 532 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.764 |
| logP | 2.1209 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.0722 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
