Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3923374138
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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-5512054492
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3923374138.sdf |
| SMILES | MCULE-3923374138.smiles |
| Standard InChI | MCULE-3923374138.inchi |
| InChIKey | MCULE-3923374138.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587190 | N/A | As is | in stock |
| P-890146172 | N/A | As is | in stock |
| P-615728765 | 98 | As is | in stock |
| P-903076607 | 98 | As is | 9 g |
| P-851778571 | N/A | As is | by synthesis |
| P-489113041 | 97 | As is | in stock |
| P-864219603 | 95 | As is | by synthesis |
| P-591098558 | 95 | As is | by synthesis |
| P-861475437 | 95 | As is | by synthesis |
| P-580433039 | 95 | As is | by resynthesis (? - ? days) |
| P-502484672 | 95 | As is | by synthesis |
| P-502443684 | 95 | As is | in stock |
| P-31258110 | 90 | As is | unavailable |
| P-580476817 | 95 | As is | by synthesis |
| P-852490532 | N/A | As is | in stock |
| P-854908723 | 95 | As is | by synthesis |
| P-620068770 | 90 | As is | 1000 mg |
| P-620223610 | 95 | As is | 1000 mg |
| P-611569797 | 90 | As is | in stock |
| P-867630648 | 95 | As a main component | in stock |
| P-875794657 | N/A | As a main component | in stock |
| P-869284489 | 95 | As a main component | in stock |
| P-903146239 | 97 | As a main component | 300 g |
| P-606912196 | N/A | As a main component | in stock |
| P-489216484 | 97 | As a main component | in stock |
| P-596966352 | 97 | As a main component | 300 g |
| P-895921459 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864136345 | 97 | As a main component | in stock |
| P-580696722 | 95 | As a main component | 46.5 g |
| P-901435709 | 95 | As a main component | by synthesis |
| P-868604374 | 98 | As a main component | in stock |
| P-905350146 | 95 | As a main component | in stock |
| P-862060136 | 95 | As a main component | 715.997 g |
| P-868742024 | 95 | As a main component | in stock |
| P-492281900 | 95 | As a main component | 1000 mg |
| P-26448949 | 90 | As a main component | 1000 mg |
| P-889865365 | 95 | As a main component | by synthesis |
| P-505617756 | 95 | As a main component | in stock |
| P-906864155 | 97 | As a main component | by synthesis |
| P-611569835 | 90 | As a main component | in stock |
| P-480860836 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.226 |
| logP | 1.7689 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.5624 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 17 |
| 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 |
