Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5456354941-0
Structure
Show compound
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 | 13 USD | 99 | 11 working days | Get Quote |
| 5 mg | 13 USD | 99 | 11 working days | Get Quote |
| 10 mg | 13 USD | 99 | 11 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-3334195935-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5456354941-0.sdf |
| SMILES | MCULE-5456354941-0.smiles |
| Standard InChI | MCULE-5456354941-0.inchi |
| InChIKey | MCULE-5456354941-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544410 | 98 | As is | in stock |
| P-875701639 | N/A | As is | in stock |
| P-590400452 | 98 | As is | in stock |
| P-903025602 | 98 | As is | 900 g |
| P-606918959 | N/A | As is | in stock |
| P-489192787 | 97 | As is | in stock |
| P-596939305 | 98 | As is | 200 g |
| P-895928023 | 95 | As is | by resynthesis (? - ? days) |
| P-864183769 | 95 | As is | in stock |
| P-584628567 | 98 | As is | 630 g |
| P-901455161 | 95 | As is | by synthesis |
| P-878240277 | 98 | As is | in stock |
| P-851245042 | 95 | As is | by synthesis |
| P-868630559 | 99 | As is | in stock |
| P-580277887 | 95 | As is | by resynthesis (? - ? days) |
| P-868078311 | 95 | As is | in stock |
| P-502466737 | 95 | As is | by synthesis |
| P-502946462 | 90 | As is | in stock |
| P-492220736 | 95 | As is | in stock |
| P-870640322 | 97 | As is | 100 mg |
| P-596571250 | 97 | As is | 100 g |
| P-852521481 | N/A | As is | in stock |
| P-854777883 | 95 | As is | by synthesis |
| P-12736398 | 90 | As is | 40 mg |
| P-491331849 | 95 | As is | by synthesis |
| P-520167886 | 90 | As is | in stock |
| P-33965491 | 90 | As is | in stock |
| P-502355084 | 90 | As is | in stock |
| P-906790029 | 97 | As is | by synthesis |
| P-906760138 | 98 | As is | by synthesis |
| P-906816459 | 97 | As is | by synthesis |
| P-906846180 | 95 | As is | by synthesis |
| P-611432997 | 90 | As is | in stock |
| P-25732654 | 90 | As is | 13 mg |
| P-615409037 | 95 | As is | in stock |
| P-480839892 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.235 |
| logP | 1.8153 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 51.08 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.685 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| 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 |
