Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3153980516
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-3153980516.sdf |
| SMILES | MCULE-3153980516.smiles |
| Standard InChI | MCULE-3153980516.inchi |
| InChIKey | MCULE-3153980516.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579631 | 97 | As is | in stock |
| P-875739071 | N/A | As is | in stock |
| P-903069450 | 98 | As is | 7 g |
| P-606840357 | N/A | As is | in stock |
| P-596952289 | 97 | As is | 100 g |
| P-895933491 | 95 | As is | by resynthesis (? - ? days) |
| P-864166097 | 95 | As is | in stock |
| P-901461027 | 95 | As is | by synthesis |
| P-855882749 | 95 | As is | 26 g |
| P-868578115 | 98 | As is | in stock |
| P-905350077 | 97 | As is | 100 g |
| P-870655250 | N/A | As is | in stock |
| P-590337434 | 90 | As is | 1000 mg |
| P-890215006 | 90 | As is | 1000 mg |
| P-505525998 | 95 | As is | in stock |
| P-18819212 | 97 | As is | 4.048 g |
| P-454416257 | 97 | As is | 25 g |
| P-580512353 | 97 | As is | 9 g |
| P-852416953 | N/A | As is | in stock |
| P-859992754 | 95 | As is | by synthesis |
| P-906773312 | 98 | As is | by synthesis |
| P-611372965 | 90 | As is | in stock |
| P-893993375 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.188 |
| logP | 1.6735 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 76.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 40.6533 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
