Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1033991842
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 10 USD | 99 | 14 working days | Get Quote |
| 10 mg | 10 USD | 99 | 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-1033991842.sdf |
| SMILES | MCULE-1033991842.smiles |
| Standard InChI | MCULE-1033991842.inchi |
| InChIKey | MCULE-1033991842.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625831 | 99 | As is | in stock |
| P-875789282 | N/A | As is | in stock |
| P-869189075 | 95 | As is | in stock |
| P-505348501 | 98 | As is | in stock |
| P-505399174 | 98 | As is | in stock |
| P-903139772 | 99 | As is | 50 g |
| P-1264046704 | 95 | As is | in stock |
| P-610958337 | 90 | As is | 144.064 g |
| P-606867839 | N/A | As is | in stock |
| P-596965442 | 99 | As is | 100 g |
| P-580192581 | 98 | As is | in stock |
| P-864113716 | 99 | As is | in stock |
| P-900154889 | 95 | As is | in stock |
| P-868543872 | 99 | As is | in stock |
| P-584628264 | 99 | As is | 12.561 g |
| P-871220238 | N/A | As is | by resynthesis (? - ? days) |
| P-1263524212 | 95 | As is | by synthesis |
| P-577098258 | 95 | As is | in stock |
| P-881634062 | 98 | As is | in stock |
| P-851239614 | 95 | As is | by synthesis |
| P-860797885 | 98 | As is | in stock |
| P-868622643 | 97 | As is | in stock |
| P-579478744 | 95 | As is | in stock |
| P-905326559 | 99 | As is | in stock |
| P-870652233 | 98 | As is | in stock |
| P-505520480 | 95 | As is | in stock |
| P-588708712 | 98 | As is | 239 mg |
| P-608085024 | 95 | As is | 10 g |
| P-852494673 | N/A | As is | in stock |
| P-854711846 | 95 | As is | in stock |
| P-474021743 | 95 | As is | in stock |
| P-608275151 | 98 | As is | in stock |
| P-1263957784 | 90 | As is | in stock |
| P-889868672 | 95 | As is | by synthesis |
| P-579709795 | N/A | As is | in stock |
| P-869107620 | 95 | As is | by synthesis |
| P-892286231 | 95 | As is | unavailable |
| P-888626654 | 95 | As is | 227 mg |
| P-596714473 | 90 | As is | 4 mg |
| P-906781592 | 99 | As is | by synthesis |
| P-575314080 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 530.442 |
| logP | 5.13918 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 82.88 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 150.6547 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 29 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 |
