Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5110587542
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-3422039123
- Component type: Unknown
-
MCULE-8014265918
- Component type: Main
-
MCULE-1309991996
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5110587542.sdf |
| SMILES | MCULE-5110587542.smiles |
| Standard InChI | MCULE-5110587542.inchi |
| InChIKey | MCULE-5110587542.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586527 | 98 | As is | in stock |
| P-875745946 | N/A | As is | in stock |
| P-575539189 | 98 | As is | in stock |
| P-881672834 | 95 | As is | in stock |
| P-903076642 | 99 | As is | 2.5 kg |
| P-905479422 | 98 | As is | 100 g |
| P-606934724 | N/A | As is | in stock |
| P-489185484 | 97 | As is | in stock |
| P-596954742 | 98 | As is | 25 kg |
| P-494327944 | 95 | As is | by resynthesis (? - ? days) |
| P-864173885 | 95 | As is | in stock |
| P-580704347 | 98 | As is | 3.135 kg |
| P-901464972 | 95 | As is | by synthesis |
| P-868612462 | 98 | As is | in stock |
| P-862031075 | 95 | As is | 36 g |
| P-870659452 | N/A | As is | in stock |
| P-856009762 | 98 | As is | 100 mg |
| P-579617002 | 97 | As is | unavailable |
| P-31249218 | 90 | As is | 10 g |
| P-856040516 | 90 | As is | 10 g |
| P-613281530 | 95 | As is | by synthesis |
| P-852466944 | N/A | As is | in stock |
| P-902972449 | 95 | As is | by synthesis |
| P-895187243 | 95 | As is | in stock |
| P-854691625 | 95 | As is | in stock |
| P-584627084 | 95 | As is | in stock |
| P-619672983 | 98 | As is | in stock |
| P-885537090 | 95 | As is | by synthesis |
| P-617404986 | N/A | As is | in stock |
| P-594273359 | 95 | As is | by synthesis |
| P-869176941 | 95 | As is | in stock |
| P-892294334 | 95 | As is | 996 mg |
| P-892335467 | 95 | As is | 996 mg |
| P-502366790 | 90 | As is | in stock |
| P-906757999 | 99 | As is | by synthesis |
| P-855016219 | 90 | As is | in stock |
| P-615393512 | 95 | As is | in stock |
| P-893165775 | N/A | As a main component | by synthesis |
| P-852152313 | 99 | As a main component | by synthesis |
| P-890038701 | N/A | As a main component | by synthesis |
| P-895894357 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.291 |
| logP | 3.6018 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.7628 |
| Atoms | 35 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
