Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4627569468-0
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 | 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 |
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-4627569468-0.sdf |
| SMILES | MCULE-4627569468-0.smiles |
| Standard InChI | MCULE-4627569468-0.inchi |
| InChIKey | MCULE-4627569468-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534189 | N/A | As is | in stock |
| P-875688490 | N/A | As is | in stock |
| P-597013355 | 95 | As is | in stock |
| P-590405707 | 97 | As is | in stock |
| P-903008626 | 98 | As is | 100 g |
| P-606928794 | N/A | As is | in stock |
| P-489235213 | 97 | As is | in stock |
| P-596935677 | 95 | As is | 75 g |
| P-895931208 | 95 | As is | by resynthesis (? - ? days) |
| P-895932887 | 95 | As is | by resynthesis (? - ? days) |
| P-869658070 | 90 | As is | 1000 mg |
| P-864096374 | 95 | As is | in stock |
| P-889739252 | 95 | As is | 500 mg |
| P-580728545 | 95 | As is | 1000 mg |
| P-492247575 | 95 | As is | in stock |
| P-4441718 | 90 | As is | 100 mg |
| P-454618935 | 90 | As is | in stock |
| P-436447935 | 95 | As is | 25 g |
| P-19987013 | 90 | As is | in stock |
| P-868593428 | 98 | As is | in stock |
| P-34740658 | 90 | As is | by synthesis |
| P-580777023 | 90 | As is | by resynthesis (? - ? days) |
| P-899881357 | 90 | As is | in stock |
| P-580435605 | 95 | As is | by resynthesis (? - ? days) |
| P-575331865 | 95 | As is | in stock |
| P-905335132 | 95 | As is | 2 g |
| P-861973435 | 95 | As is | 166.969 g |
| P-502452715 | 95 | As is | by synthesis |
| P-502917597 | 90 | As is | in stock |
| P-492244942 | 95 | As is | in stock |
| P-12722279 | 95 | As is | 300 mg |
| P-454353253 | 90 | As is | unavailable |
| P-31268194 | 90 | As is | unavailable |
| P-856044746 | 90 | As is | unavailable |
| P-467885012 | 95 | As is | by synthesis |
| P-25746956 | 90 | As is | 233 mg |
| P-580460014 | N/A | As is | by synthesis |
| P-852380357 | N/A | As is | in stock |
| P-854753806 | 95 | As is | in stock |
| P-424098568 | 90 | As is | 1.2 g |
| P-492279227 | 95 | As is | 1.2 g |
| P-13670786 | 92 | As is | 300 mg |
| P-491129225 | 95 | As is | by synthesis |
| P-23839334 | 90 | As is | in stock |
| P-596781676 | 95 | As is | 7.5 g |
| P-502326721 | 90 | As is | in stock |
| P-892669650 | 94 | As is | by resynthesis (? - ? days) |
| P-22445553 | 90 | As is | 3 mg |
| P-906899068 | 95 | As is | in stock |
| P-3240813 | 90 | As is | 2.136 g |
| P-615447909 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.255 |
| logP | 2.3771 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 89.27 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.2414 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| 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 |
