Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3987057340
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 USD | 98 | 22 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-3987057340.sdf |
| SMILES | MCULE-3987057340.smiles |
| Standard InChI | MCULE-3987057340.inchi |
| InChIKey | MCULE-3987057340.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584226 | 98 | As is | in stock |
| P-875741841 | N/A | As is | in stock |
| P-869192860 | 95 | As is | in stock |
| P-505352077 | 98 | As is | in stock |
| P-869261140 | N/A | As is | in stock |
| P-869347863 | 99 | As is | in stock |
| P-903072045 | 98 | As is | 25 g |
| P-606898656 | N/A | As is | in stock |
| P-489148664 | 97 | As is | in stock |
| P-596953315 | 98 | As is | 500 g |
| P-580194814 | 98 | As is | in stock |
| P-864185468 | 95 | As is | in stock |
| P-580697469 | 98 | As is | 25 g |
| P-901455700 | 95 | As is | by synthesis |
| P-893231449 | 95 | As is | in stock |
| P-905319005 | 95 | As is | 25 g |
| P-505493209 | 95 | As is | in stock |
| P-502738808 | 90 | As is | in stock |
| P-675486713 | 95 | As is | in stock |
| P-31131971 | 90 | As is | 5 g |
| P-14182092 | 90 | As is | 101 mg |
| P-580487379 | N/A | As is | by synthesis |
| P-899988406 | 95 | As is | by synthesis |
| P-863733069 | 95 | As is | in stock |
| P-474022295 | 95 | As is | in stock |
| P-608276952 | 98 | As is | in stock |
| P-500405305 | 98 | As is | by synthesis |
| P-500401082 | 98 | As is | by synthesis |
| P-885545452 | 95 | As is | by synthesis |
| P-18958059 | 90 | As is | in stock |
| P-579710472 | N/A | As is | in stock |
| P-869107919 | 95 | As is | by synthesis |
| P-892286512 | 95 | As is | 975 mg |
| P-888626942 | 95 | As is | 975 mg |
| P-502352153 | 90 | As is | in stock |
| P-33181386 | 90 | As is | 1000 mg |
| P-906889965 | 97 | As is | by synthesis |
| P-559108 | 90 | As is | 1 mg |
| P-3241075 | 90 | As is | 1 mg |
| P-575297428 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.045 |
| logP | 3.2472 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 33.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.786 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
