Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5752702758
Compound
Show structures
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 | 7 USD | 99 | 20 working days | Get Quote |
| 5 mg | 7 USD | 99 | 20 working days | Get Quote |
| 10 mg | 7 USD | 99 | 20 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-1952364385
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5752702758.sdf |
| SMILES | MCULE-5752702758.smiles |
| Standard InChI | MCULE-5752702758.inchi |
| InChIKey | MCULE-5752702758.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551789 | 95 | As is | in stock |
| P-867638847 | 97 | As is | in stock |
| P-869186653 | 95 | As is | in stock |
| P-505352953 | 98 | As is | in stock |
| P-893522888 | 90 | As is | 1.46897 kg |
| P-851931520 | N/A | As is | in stock |
| P-606867585 | N/A | As is | in stock |
| P-596968377 | 95 | As is | 1.5 kg |
| P-865905626 | 99 | As is | 500 g |
| P-494345432 | 95 | As is | 130 g |
| P-889452971 | 97 | As is | by synthesis |
| P-901461233 | 95 | As is | by synthesis |
| P-901530309 | 95 | As is | by synthesis |
| P-674260273 | 90 | As is | 50 mg |
| P-34817755 | 90 | As is | by synthesis |
| P-580422968 | 95 | As is | by resynthesis (? - ? days) |
| P-905407517 | 95 | As is | 494.089 g |
| P-889434445 | 98 | As is | 655.82 g |
| P-889115281 | 95 | As is | 14 g |
| P-870655598 | N/A | As is | in stock |
| P-890204491 | 90 | As is | 24.28 g |
| P-579484097 | 90 | As is | 24.28 g |
| P-502475992 | 95 | As is | by synthesis |
| P-492219916 | 95 | As is | in stock |
| P-488544601 | 90 | As is | in stock |
| P-13832153 | 95 | As is | 300 mg |
| P-454416939 | 95 | As is | 51.998 g |
| P-454351630 | 95 | As is | 188 mg |
| P-615650133 | 95 | As is | in stock |
| P-31179116 | 90 | As is | unavailable |
| P-612218389 | 90 | As is | 323 mg |
| P-588250201 | N/A | As is | by synthesis |
| P-12914537 | 90 | As is | 700 mg |
| P-454365000 | 92 | As is | in stock |
| P-864677776 | 92 | As is | 300 mg |
| P-885518730 | 95 | As is | by synthesis |
| P-34148032 | 90 | As is | in stock |
| P-896073428 | N/A | As is | 7.059 g |
| P-904100892 | 95 | As is | 252.4 g |
| P-596785360 | 95 | As is | 760 g |
| P-502354479 | 90 | As is | in stock |
| P-906775667 | 98 | As is | by synthesis |
| P-611486123 | 90 | As is | in stock |
| P-1305090 | 90 | As is | 1.768 g |
| P-464674364 | 90 | As is | 1.768 g |
| P-575292780 | 95 | As is | in stock |
| P-892893344 | 95 | As a main component | in stock |
| P-904032622 | N/A | As a main component | by synthesis |
| P-889808428 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.184 |
| logP | 1.793 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.6038 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
