Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2852633323
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 | 23 USD | 97 | 20 working days | Get Quote |
| 5 mg | 23 USD | 97 | 20 working days | Get Quote |
| 10 mg | 23 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2852633323.sdf |
| SMILES | MCULE-2852633323.smiles |
| Standard InChI | MCULE-2852633323.inchi |
| InChIKey | MCULE-2852633323.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872832377 | 95 | As is | in stock |
| P-875815860 | N/A | As is | in stock |
| P-590418284 | 97 | As is | in stock |
| P-903179006 | 97 | As is | 3 g |
| P-893579455 | 90 | As is | 4.512 g |
| P-851637149 | N/A | As is | by synthesis |
| P-489132986 | 97 | As is | in stock |
| P-873296647 | 97 | As is | 2 g |
| P-895954569 | 95 | As is | by resynthesis (? - ? days) |
| P-596453558 | 90 | As is | 110 mg |
| P-864088224 | 97 | As is | in stock |
| P-590962129 | 95 | As is | by synthesis |
| P-901521793 | 95 | As is | by synthesis |
| P-34870584 | 90 | As is | in stock |
| P-861551475 | 97 | As is | by synthesis |
| P-580316054 | 95 | As is | by resynthesis (? - ? days) |
| P-580428658 | 95 | As is | by resynthesis (? - ? days) |
| P-861962411 | 97 | As is | 3.118 g |
| P-563459527 | 97 | As is | 10 g |
| P-580493811 | N/A | As is | by synthesis |
| P-852387939 | N/A | As is | in stock |
| P-872526918 | 95 | As is | in stock |
| P-888887977 | N/A | As is | in stock |
| P-519798850 | 90 | As is | in stock |
| P-22645663 | 90 | As is | in stock |
| P-502334024 | 90 | As is | in stock |
| P-888439104 | 94 | As is | by resynthesis (? - ? days) |
| P-611564822 | 90 | As is | in stock |
| P-886900385 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 128.172 |
| logP | 0.142 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.4754 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
