Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3825617563
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 69 USD | 95 | 17 working days | Get Quote |
| 10 mg | 69 USD | 95 | 17 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-5732867580
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3825617563.sdf |
| SMILES | MCULE-3825617563.smiles |
| Standard InChI | MCULE-3825617563.inchi |
| InChIKey | MCULE-3825617563.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875785927 | N/A | As is | in stock |
| P-595217832 | 95 | As is | in stock |
| P-893454989 | 90 | As is | 5.208 g |
| P-851811679 | N/A | As is | by synthesis |
| P-489227362 | 97 | As is | in stock |
| P-869480220 | 90 | As is | 251 mg |
| P-889517547 | 95 | As is | by synthesis |
| P-591103981 | 95 | As is | by synthesis |
| P-504752550 | 90 | As is | 5 mg |
| P-577155578 | 90 | As is | by synthesis |
| P-505588076 | 96 | As is | in stock |
| P-249 | 90 | As is | 50.8 g |
| P-6971 | 90 | As is | 1.067 g |
| P-436463639 | 95 | As is | 3 g |
| P-868592167 | 97 | As is | in stock |
| P-34778007 | 90 | As is | by synthesis |
| P-580785908 | 90 | As is | by resynthesis (? - ? days) |
| P-12435610 | 95 | As is | 169 mg |
| P-563695002 | 95 | As is | 1000 mg |
| P-856023664 | 90 | As is | unavailable |
| P-25769409 | 90 | As is | 178 mg |
| P-468062037 | 95 | As is | 178 mg |
| P-852382060 | N/A | As is | in stock |
| P-895263807 | 95 | As is | by synthesis |
| P-13126712 | 90 | As is | 1000 mg |
| P-492286664 | 95 | As is | 1000 mg |
| P-1263768646 | 95 | As is | in stock |
| P-491224321 | 95 | As is | by synthesis |
| P-18905679 | 90 | As is | in stock |
| P-454055112 | 90 | As is | 13 mg |
| P-502327224 | 90 | As is | in stock |
| P-22448173 | 90 | As is | 398 mg |
| P-611379919 | 90 | As is | in stock |
| P-886894103 | 95 | As is | in stock |
| P-675353041 | 90 | As a main component | in stock |
| P-675396802 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.367 |
| logP | 3.27938 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 81.29 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 82.1684 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| 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 |
