Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2746172549-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-2746172549-0.sdf |
| SMILES | MCULE-2746172549-0.smiles |
| Standard InChI | MCULE-2746172549-0.inchi |
| InChIKey | MCULE-2746172549-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643139 | 95 | As is | in stock |
| P-875810120 | N/A | As is | in stock |
| P-590372361 | 97 | As is | in stock |
| P-903169674 | 97 | As is | 5 g |
| P-610977709 | 90 | As is | 34.17 g |
| P-851536588 | N/A | As is | by synthesis |
| P-489177124 | 97 | As is | in stock |
| P-873296181 | 97 | As is | 20 g |
| P-589661193 | 95 | As is | by resynthesis (? - ? days) |
| P-864085713 | 97 | As is | in stock |
| P-590794350 | 95 | As is | by synthesis |
| P-492257759 | 95 | As is | in stock |
| P-619933679 | 90 | As is | by synthesis |
| P-449240396 | 90 | As is | 50 mg |
| P-436462108 | 95 | As is | 1000 mg |
| P-868646919 | 97 | As is | in stock |
| P-580441924 | 95 | As is | by resynthesis (? - ? days) |
| P-594269568 | 90 | As is | in stock |
| P-579799440 | 90 | As is | in stock |
| P-428593764 | 90 | As is | in stock |
| P-904198610 | 95 | As is | 12.3 g |
| P-896539854 | 95 | As is | 2 g |
| P-502504402 | 95 | As is | by synthesis |
| P-502971903 | 90 | As is | in stock |
| P-492246803 | 95 | As is | in stock |
| P-488551629 | 90 | As is | in stock |
| P-13766800 | 95 | As is | 300 mg |
| P-18791218 | 90 | As is | unavailable |
| P-852433022 | N/A | As is | in stock |
| P-896630514 | 95 | As is | in stock |
| P-34030219 | 90 | As is | 12.3 g |
| P-492279460 | 95 | As is | 12.3 g |
| P-454372456 | 92 | As is | in stock |
| P-13947277 | 92 | As is | 300 mg |
| P-856072671 | 95 | As is | in stock |
| P-19620452 | 90 | As is | in stock |
| P-502393987 | 90 | As is | in stock |
| P-911289273 | 90 | As is | by synthesis |
| P-886945997 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.187 |
| logP | 1.702 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 64.69 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.6674 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
