Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1857337852
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 | 16 USD | 95 | 20 working days | Get Quote |
| 5 mg | 16 USD | 95 | 20 working days | Get Quote |
| 10 mg | 16 USD | 95 | 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-7032223141
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1857337852.sdf |
| SMILES | MCULE-1857337852.smiles |
| Standard InChI | MCULE-1857337852.inchi |
| InChIKey | MCULE-1857337852.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875735620 | N/A | As is | in stock |
| P-595216633 | 98 | As is | in stock |
| P-903065528 | 95 | As is | 30 g |
| P-893518942 | 90 | As is | 75.85 g |
| P-606947818 | N/A | As is | in stock |
| P-1264202655 | N/A | As is | by synthesis |
| P-489229224 | 97 | As is | in stock |
| P-596975763 | 95 | As is | 20 g |
| P-864112294 | 97 | As is | in stock |
| P-590871030 | 95 | As is | by synthesis |
| P-901435556 | 95 | As is | by synthesis |
| P-851283190 | 95 | As is | by synthesis |
| P-861280692 | 97 | As is | in stock |
| P-868648449 | 95 | As is | in stock |
| P-580435480 | 95 | As is | by resynthesis (? - ? days) |
| P-580437052 | 95 | As is | by resynthesis (? - ? days) |
| P-862089974 | 95 | As is | 33.85 g |
| P-505517094 | 95 | As is | in stock |
| P-505517374 | 95 | As is | in stock |
| P-18808589 | 95 | As is | 96.55 g |
| P-454411119 | 95 | As is | 96.55 g |
| P-608086294 | 95 | As is | 5 g |
| P-852414874 | N/A | As is | in stock |
| P-874448534 | 95 | As is | in stock |
| P-492281876 | 95 | As is | 503 mg |
| P-424180089 | 90 | As is | 503 mg |
| P-888898833 | N/A | As is | in stock |
| P-889882855 | 95 | As is | by synthesis |
| P-890844381 | 95 | As is | in stock |
| P-896076243 | N/A | As is | 4.37 g |
| P-870510166 | 97 | As is | 25.78 g |
| P-502393258 | 90 | As is | in stock |
| P-906903472 | 98 | As is | in stock |
| P-906869302 | 95 | As is | by synthesis |
| P-611427281 | 90 | As is | in stock |
| P-893996171 | 95 | As is | in stock |
| P-892892362 | 95 | As a main component | in stock |
| P-890084903 | N/A | As a main component | by synthesis |
| P-903420041 | 95 | As a main component | 2.5 g |
| P-1263095526 | N/A | As a main component | by synthesis |
| P-905568097 | 95 | As a main component | by synthesis |
| P-893867200 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 2.8982 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 71.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.6004 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 |
