Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2588695305
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-2588695305.sdf |
| SMILES | MCULE-2588695305.smiles |
| Standard InChI | MCULE-2588695305.inchi |
| InChIKey | MCULE-2588695305.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623848 | N/A | As is | in stock |
| P-875786399 | N/A | As is | in stock |
| P-590419248 | 95 | As is | in stock |
| P-903136780 | 97 | As is | 200 g |
| P-893459569 | 90 | As is | 210 g |
| P-606859734 | N/A | As is | in stock |
| P-895099149 | 97 | As is | 10 g |
| P-866719355 | 95 | As is | by resynthesis (? - ? days) |
| P-596427058 | 90 | As is | 624 mg |
| P-901359819 | 95 | As is | by synthesis |
| P-577155980 | 90 | As is | by synthesis |
| P-3913384 | 90 | As is | 23 mg |
| P-436464095 | 95 | As is | 35 g |
| P-861527472 | 95 | As is | by synthesis |
| P-34777811 | 90 | As is | by synthesis |
| P-580776038 | 90 | As is | by resynthesis (? - ? days) |
| P-899881306 | 90 | As is | in stock |
| P-579511050 | 90 | As is | 7 g |
| P-890209003 | 90 | As is | 7 g |
| P-502502804 | 95 | As is | by synthesis |
| P-502762128 | 90 | As is | in stock |
| P-492227559 | 95 | As is | in stock |
| P-488547139 | 90 | As is | in stock |
| P-13732961 | 95 | As is | 300 mg |
| P-891644640 | 90 | As is | 39 mg |
| P-596593968 | 90 | As is | 5 g |
| P-14180345 | 90 | As is | 1 mg |
| P-852434577 | N/A | As is | in stock |
| P-35181501 | 97 | As is | 2.556 kg |
| P-854919426 | 95 | As is | by synthesis |
| P-12804183 | 90 | As is | 2.404 g |
| P-492283116 | 95 | As is | 2.404 g |
| P-454370923 | 92 | As is | in stock |
| P-864655360 | 92 | As is | 300 mg |
| P-491128630 | 95 | As is | by synthesis |
| P-18829886 | 90 | As is | in stock |
| P-33464573 | 90 | As is | in stock |
| P-502333264 | 90 | As is | in stock |
| P-888360986 | 94 | As is | by resynthesis (? - ? days) |
| P-611486309 | 90 | As is | in stock |
| P-1034587 | 90 | As is | 1.11 g |
| P-464682119 | 90 | As is | 1.11 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.193 |
| logP | 1.1896 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 46.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.502 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| 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 |
