Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5775856349-0
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 | 10 USD | 99 | 14 working days | Get Quote |
| 5 mg | 13 USD | 99 | 22 working days | Get Quote |
| 10 mg | 17 USD | 99 | 22 working days | Get Quote |
- 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-5775856349-0.sdf |
| SMILES | MCULE-5775856349-0.smiles |
| Standard InChI | MCULE-5775856349-0.inchi |
| InChIKey | MCULE-5775856349-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867646598 | 99 | As is | in stock |
| P-875814177 | 99 | As is | in stock |
| P-1275202100 | 98 | As is | in stock |
| P-580194370 | 98 | As is | in stock |
| P-903174972 | 99 | As is | 500 mg |
| P-1264047509 | 99 | As is | in stock |
| P-893504666 | 90 | As is | 6.644 g |
| P-1270281100 | 99 | As is | in stock |
| P-606897366 | N/A | As is | in stock |
| P-489201870 | 97 | As is | in stock |
| P-596970077 | 99 | As is | 500 mg |
| P-1273265606 | 95 | As is | by resynthesis (? - ? days) |
| P-889550386 | 95 | As is | in stock |
| P-868544626 | 99 | As is | in stock |
| P-580721547 | 99 | As is | 395 mg |
| P-860799114 | 98 | As is | in stock |
| P-887965853 | 98 | As is | in stock |
| P-579479486 | 95 | As is | in stock |
| P-675215741 | 95 | As is | in stock |
| P-675215742 | 95 | As is | in stock |
| P-596584270 | 97 | As is | 5 mg |
| P-854712676 | 95 | As is | in stock |
| P-1263153644 | 95 | As is | by synthesis |
| P-474021258 | 95 | As is | in stock |
| P-878640977 | 98 | As is | in stock |
| P-579712303 | 98 | As is | in stock |
| P-892297155 | 95 | As is | unavailable |
| P-869162137 | 95 | As is | 50 mg |
| P-888657528 | 95 | As is | 50 mg |
| P-611430161 | 90 | As is | in stock |
| P-1271696482 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 388.868 |
| logP | 4.8703 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 96.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.6325 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
