L851-2226 Screening compound: 3-cyclopropyl-5-{1-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of ChemDiv screening compound L851-2226
3-cyclopropyl-5-{1-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-1,2,4-oxadiazole
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
L851-2226
Molecular Formula
C18H16F3N5O2S (C18 H16 F3 N5 O2 S)
Compound Name
3-cyclopropyl-5-{1-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-1,2,4-oxadiazole
IUPAC name
3-cyclopropyl-5-{1-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-124-oxadiazole
SMILES
Cn(c(CC1)c2CN1C(c1ccc(C(F)(F)F)s1)=O)nc2-c1nc(C2CC2)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
423.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.395
Distribution Coefficient, logD
3.395
Water Solubility, LogSw
-3.70
Polar Surface Area
64.514
Acid Dissociation Constant (pKa)
22.08
Base Dissociation Constant (pKb)
-1.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.40
L851-2226 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
Hsp90-Targeted Library (11355 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Antibacterial Compounds Library (13827 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Infections
- Immune system
- animal
- Proteases
- GPCR
- PPI modulators
- Receptor's ligands
- Cyclic compounds
- Agro
References: we are preparing a list of scientific research reports with L851-2226 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)