Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1985229890
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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-1985229890.sdf |
| SMILES | MCULE-1985229890.smiles |
| Standard InChI | MCULE-1985229890.inchi |
| InChIKey | MCULE-1985229890.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867607391 | 98 | As is | in stock |
| P-875766160 | N/A | As is | in stock |
| P-535626701 | 95 | As is | in stock |
| P-505353894 | 98 | As is | in stock |
| P-505388942 | 99 | As is | in stock |
| P-903104166 | 98 | As is | 1.5 kg |
| P-606833187 | N/A | As is | in stock |
| P-489216458 | 97 | As is | in stock |
| P-596932311 | 98 | As is | 7 kg |
| P-864184515 | 95 | As is | in stock |
| P-590634590 | 98 | As is | 1.28 kg |
| P-901413821 | 95 | As is | in stock |
| P-454735285 | 90 | As is | in stock |
| P-436474169 | 95 | As is | 501 g |
| P-851286784 | 95 | As is | by synthesis |
| P-868592662 | 98 | As is | in stock |
| P-905328137 | 99 | As is | 1000 mg |
| P-861920051 | 99 | As is | 2.15576 kg |
| P-870662021 | 98 | As is | in stock |
| P-505501052 | 95 | As is | in stock |
| P-502528222 | 95 | As is | by synthesis |
| P-524440192 | 97 | As is | 18.709 g |
| P-31207724 | 90 | As is | 10 g |
| P-856042954 | 90 | As is | 10 g |
| P-860787059 | 99 | As is | by synthesis |
| P-852533979 | N/A | As is | in stock |
| P-35197270 | 95 | As is | 11.647 kg |
| P-896628156 | 95 | As is | by synthesis |
| P-854721798 | 95 | As is | in stock |
| P-584616956 | 95 | As is | in stock |
| P-878641103 | 98 | As is | in stock |
| P-885547476 | 95 | As is | by synthesis |
| P-617403744 | N/A | As is | in stock |
| P-869161092 | 95 | As is | by synthesis |
| P-892295094 | 95 | As is | 899 mg |
| P-888656325 | 95 | As is | 899 mg |
| P-502338016 | 90 | As is | in stock |
| P-33163046 | 90 | As is | 1000 mg |
| P-906755670 | 98 | As is | by synthesis |
| P-611366174 | 90 | As is | in stock |
| P-666972174 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.633 |
| logP | 1.072 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.69 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.8816 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
