Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1244673727
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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
-
MCULE-2494860413
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1244673727.sdf |
| SMILES | MCULE-1244673727.smiles |
| Standard InChI | MCULE-1244673727.inchi |
| InChIKey | MCULE-1244673727.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266044100 | 95 | As is | in stock |
| P-1265768098 | 95 | As is | in stock |
| P-894629189 | 95 | As is | by resynthesis (? - ? days) |
| P-903075658 | 97 | As is | 250 mg |
| P-851401922 | N/A | As is | by synthesis |
| P-892188622 | 97 | As is | unavailable |
| P-1274815915 | 95 | As is | by resynthesis (? - ? days) |
| P-864135231 | 95 | As is | in stock |
| P-590730614 | 95 | As is | by synthesis |
| P-580284502 | N/A | As is | by resynthesis (? - ? days) |
| P-862041795 | 97 | As is | 250 mg |
| P-579614596 | 95 | As is | in stock |
| P-854773355 | 95 | As is | by synthesis |
| P-579714372 | N/A | As is | in stock |
| P-873224584 | 90 | As is | in stock |
| P-906889102 | 97 | As is | by synthesis |
| P-611392769 | 90 | As is | in stock |
| P-886904672 | 95 | As is | in stock |
| P-867569027 | 98 | As a main component | in stock |
| P-875728666 | 98 | As a main component | in stock |
| P-890252426 | 97 | As a main component | by synthesis |
| P-1275186539 | 97 | As a main component | in stock |
| P-1275143151 | 95 | As a main component | in stock |
| P-903057913 | 97 | As a main component | 3.5 kg |
| P-905482260 | 97 | As a main component | 10 g |
| P-866097596 | 95 | As a main component | 40 g |
| P-1270289822 | 97 | As a main component | in stock |
| P-580237139 | 95 | As a main component | by synthesis |
| P-617067142 | 98 | As a main component | in stock |
| P-606952024 | N/A | As a main component | in stock |
| P-489166702 | 97 | As a main component | in stock |
| P-596930019 | 95 | As a main component | 3.5 kg |
| P-494346995 | 95 | As a main component | 231.09 g |
| P-864088209 | 97 | As a main component | in stock |
| P-481176354 | 95 | As a main component | 32 g |
| P-580711609 | 97 | As a main component | 1.136 kg |
| P-893224864 | 95 | As a main component | in stock |
| P-492259316 | 95 | As a main component | in stock |
| P-619934593 | 90 | As a main component | by synthesis |
| P-505591376 | 95 | As a main component | in stock |
| P-584599032 | 95 | As a main component | in stock |
| P-851251097 | 95 | As a main component | by synthesis |
| P-868582371 | 96 | As a main component | in stock |
| P-580286112 | N/A | As a main component | by resynthesis (? - ? days) |
| P-489245910 | 95 | As a main component | in stock |
| P-861933250 | 95 | As a main component | 5.38757 kg |
| P-905330118 | 95 | As a main component | 1.131 kg |
| P-505521106 | 95 | As a main component | in stock |
| P-454391803 | 95 | As a main component | 171 mg |
| P-454298524 | 95 | As a main component | 171 mg |
| P-613281169 | 95 | As a main component | by synthesis |
| P-580517297 | 97 | As a main component | in stock |
| P-1272575710 | 95 | As a main component | 5 g |
| P-852427246 | 95 | As a main component | by synthesis |
| P-854748063 | 95 | As a main component | in stock |
| P-1274789792 | 90 | As a main component | 200 mg |
| P-888862817 | N/A | As a main component | in stock |
| P-885543966 | 95 | As a main component | by synthesis |
| P-498674772 | 98 | As a main component | 1.0897 kg |
| P-502349339 | 90 | As a main component | in stock |
| P-906774985 | 97 | As a main component | by synthesis |
| P-611392770 | 90 | As a main component | in stock |
| P-1271592765 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 84.120 |
| logP | 1.1324 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 49.87 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 25.5261 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 6 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Undefined stereo double bonds | 1 |
