Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3233814444
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-3233814444.sdf |
| SMILES | MCULE-3233814444.smiles |
| Standard InChI | MCULE-3233814444.inchi |
| InChIKey | MCULE-3233814444.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648050 | 98 | As is | in stock |
| P-875816253 | 98 | As is | in stock |
| P-1275159561 | 95 | As is | in stock |
| P-1275185406 | 97 | As is | in stock |
| P-903177868 | 98 | As is | 100 g |
| P-1270352637 | 97 | As is | in stock |
| P-617068987 | 95 | As is | in stock |
| P-606872436 | N/A | As is | in stock |
| P-596970369 | 98 | As is | 5 kg |
| P-494415015 | 95 | As is | by resynthesis (? - ? days) |
| P-864087043 | 97 | As is | in stock |
| P-580697675 | 97 | As is | 1.235 kg |
| P-504706010 | 85 | As is | 5 mg |
| P-449699794 | 90 | As is | 261 mg |
| P-313459 | 90 | As is | 1.91 g |
| P-578527036 | 90 | As is | in stock |
| P-851271771 | 95 | As is | by synthesis |
| P-868649775 | 98 | As is | in stock |
| P-34790627 | 90 | As is | by synthesis |
| P-862011316 | 98 | As is | 4.81762 kg |
| P-1264345850 | 98 | As is | 780 g |
| P-600955556 | 98 | As is | in stock |
| P-870656335 | N/A | As is | in stock |
| P-13429758 | 92 | As is | 300 mg |
| P-588709243 | 97 | As is | unavailable |
| P-855997554 | 97 | As is | unavailable |
| P-579624400 | 95 | As is | in stock |
| P-31177862 | 90 | As is | unavailable |
| P-613281604 | 95 | As is | by synthesis |
| P-580481098 | N/A | As is | by synthesis |
| P-1272596464 | 95 | As is | 400 g |
| P-852510881 | 95 | As is | by synthesis |
| P-863690270 | 95 | As is | in stock |
| P-1274788674 | 90 | As is | 170 mg |
| P-888861770 | N/A | As is | in stock |
| P-13892046 | 92 | As is | 300 mg |
| P-500372530 | 98 | As is | by synthesis |
| P-885547027 | 95 | As is | by synthesis |
| P-424838741 | 90 | As is | in stock |
| P-896073756 | N/A | As is | 78 mg |
| P-613814696 | 95 | As is | in stock |
| P-904091533 | 97 | As is | 4.8947 kg |
| P-33450216 | 90 | As is | in stock |
| P-502372879 | 90 | As is | in stock |
| P-903956326 | 94 | As is | by resynthesis (? - ? days) |
| P-906780167 | 98 | As is | by synthesis |
| P-611376834 | 90 | As is | in stock |
| P-1829333 | 90 | As is | 408 mg |
| P-575300096 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.157 |
| logP | 1.0119 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.9461 |
| Atoms | 21 |
| Rings | 1 |
| 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 |
