Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5401655242
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 | 15 USD | N/A | 9 working days | Get Quote |
| 5 mg | 15 USD | N/A | 9 working days | Get Quote |
| 10 mg | 15 USD | N/A | 9 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-5401655242.sdf |
| SMILES | MCULE-5401655242.smiles |
| Standard InChI | MCULE-5401655242.inchi |
| InChIKey | MCULE-5401655242.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872826554 | 97 | As is | in stock |
| P-875720165 | N/A | As is | in stock |
| P-590419180 | 97 | As is | in stock |
| P-903049070 | 97 | As is | 75 g |
| P-851524496 | N/A | As is | by synthesis |
| P-865907167 | 97 | As is | 75 g |
| P-870062111 | 90 | As is | 1000 mg |
| P-596515722 | 90 | As is | 1000 mg |
| P-864166995 | 95 | As is | in stock |
| P-619933231 | 90 | As is | by synthesis |
| P-454618963 | 90 | As is | in stock |
| P-15152979 | 90 | As is | 499.995 g |
| P-436443699 | 90 | As is | 25.7 g |
| P-335765 | 90 | As is | 462 mg |
| P-436452190 | 95 | As is | 10 g |
| P-851319452 | 95 | As is | by synthesis |
| P-868619338 | 97 | As is | in stock |
| P-34728143 | 90 | As is | by synthesis |
| P-575338228 | 95 | As is | in stock |
| P-502510249 | 95 | As is | by synthesis |
| P-502924164 | 90 | As is | in stock |
| P-492228945 | 95 | As is | in stock |
| P-870641470 | 90 | As is | 100 mg |
| P-596586409 | 90 | As is | 5 g |
| P-31235055 | 90 | As is | 100 mg |
| P-467983938 | 95 | As is | 258 mg |
| P-14440173 | 90 | As is | 258 mg |
| P-580499817 | 95 | As is | by synthesis |
| P-852384209 | N/A | As is | in stock |
| P-895333719 | 95 | As is | by synthesis |
| P-12414834 | 90 | As is | 1000 mg |
| P-885517511 | 95 | As is | by synthesis |
| P-18945191 | 90 | As is | in stock |
| P-896073758 | N/A | As is | 34.981 g |
| P-33443043 | 90 | As is | in stock |
| P-502335030 | 90 | As is | in stock |
| P-903639717 | 94 | As is | by resynthesis (? - ? days) |
| P-611609324 | 90 | As is | in stock |
| P-912701088 | 90 | As is | by synthesis |
| P-3239511 | 90 | As is | 6.336 g |
| P-3218527 | 90 | As is | 6.336 g |
| P-508581 | 90 | As is | 6.336 g |
| P-667018449 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.299 |
| logP | 4.1267 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.4604 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 16 |
| 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 |
