Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4681823535
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-4681823535.sdf |
| SMILES | MCULE-4681823535.smiles |
| Standard InChI | MCULE-4681823535.inchi |
| InChIKey | MCULE-4681823535.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588156 | 98 | As is | in stock |
| P-875747050 | 98 | As is | in stock |
| P-1275188891 | 99 | As is | in stock |
| P-1275155013 | 98 | As is | in stock |
| P-903078010 | 98 | As is | 2 kg |
| P-905477150 | 98 | As is | 1000 g |
| P-866099310 | 95 | As is | 36.4 g |
| P-1270316214 | 98 | As is | in stock |
| P-580241614 | 95 | As is | by synthesis |
| P-617048915 | 95 | As is | by resynthesis (? - ? days) |
| P-606915608 | N/A | As is | in stock |
| P-596955071 | 98 | As is | 2 kg |
| P-494322989 | 95 | As is | 611 g |
| P-596270086 | 90 | As is | 1000 mg |
| P-864097288 | 97 | As is | in stock |
| P-580722877 | 98 | As is | 2.555 kg |
| P-454643707 | 90 | As is | in stock |
| P-851272672 | 95 | As is | by synthesis |
| P-868560259 | 98 | As is | in stock |
| P-580406557 | 95 | As is | by resynthesis (? - ? days) |
| P-905336617 | 95 | As is | 710 g |
| P-861984083 | 95 | As is | 5.4466 kg |
| P-492237177 | 95 | As is | in stock |
| P-502854322 | 90 | As is | in stock |
| P-454395158 | 97 | As is | 25 g |
| P-579622592 | 97 | As is | in stock |
| P-31268486 | 90 | As is | 100 mg |
| P-904197019 | 95 | As is | 732 mg |
| P-14589903 | 90 | As is | 732 mg |
| P-580489001 | 96 | As is | by synthesis |
| P-1272580417 | 95 | As is | 50 g |
| P-852442765 | 95 | As is | by synthesis |
| P-854733809 | 95 | As is | in stock |
| P-424038508 | 90 | As is | 281 mg |
| P-888866488 | N/A | As is | in stock |
| P-500387172 | 98 | As is | by synthesis |
| P-889879808 | 95 | As is | by synthesis |
| P-19834158 | 90 | As is | in stock |
| P-596780845 | 98 | As is | 8.1912 kg |
| P-502398161 | 90 | As is | in stock |
| P-23341368 | 94 | As is | by resynthesis (? - ? days) |
| P-611478896 | 90 | As is | in stock |
| P-25518651 | 90 | As is | 243 mg |
| P-615647176 | 95 | As is | unavailable |
| P-1271580823 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.136 |
| logP | 2.0437 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 72.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.5015 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| 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 |
