L888-0431 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

L888-0431 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
L888-0431 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L888-0431
4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-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

L888-0431

Molecular Formula

C20H25FN6O2S2 (C20 H25 FN6 O2 S2)

Compound Name

4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

IUPAC name

4-ethyl-3-(ethylsulfanyl)-5-[5-(3-fluoro-4-methylbenzenesulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4H-124-triazole

SMILES

CCn1c(SCC)nnc1-c1nn(C)c(CC2)c1CN2S(c1cc(F)c(C)cc1)(=O)=O

InChI

InChI=1S/C20H25FN6O2S2/c1-5-27-19(22-23-20(27)30-6-2)18-15-12-26(10-9-17(15)25(4)24-18)31(28,29)14-8-7-13(3)16(21)11-14/h7-8,11H,5-6,9-10,12H2,1-4H3

InChI Key

LPSHVJDPPPYMGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.37

Polar Surface Area

70.628

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L888-0431 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with L888-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0431?
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What is the minimum amount of L888-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0431
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L888-0431 available by request