L886-0386 Screening compound: 4-ethyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(methylsulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound L886-0386
4-ethyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(methylsulfanyl)-4H-1,2,4-triazole
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
L886-0386
Molecular Formula
C17H20N6OS2 (C17 H20 N6 OS2)
Compound Name
4-ethyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(methylsulfanyl)-4H-1,2,4-triazole
IUPAC name
4-ethyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-5-(methylsulfanyl)-4H-124-triazole
SMILES
CCn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(c1cccs1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.52
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
1.877
Distribution Coefficient, logD
1.839
Water Solubility, LogSw
-2.26
Polar Surface Area
56.583
Acid Dissociation Constant (pKa)
19.88
Base Dissociation Constant (pKb)
6.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.20
L886-0386 in Drug Discovery
Included in Screening Libraries
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)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- 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
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Nervous system
- Cardiovascular
- Proteases
- Ion Channels
- PPI modulators
- Epigenetic
- Cyclic compounds
References: we are preparing a list of scientific research reports with L886-0386 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)