L888-0080 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3-methylbenzenesulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

L888-0080 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3-methylbenzenesulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
L888-0080 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3-methylbenzenesulfonyl)-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 L888-0080
3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3-methylbenzenesulfonyl)-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

L888-0080

Molecular Formula

C19H24N6O2S2 (C19 H24 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3S(c2cc(C)ccc2)(=O)=O)n1C

InChI

InChI=1S/C19H24N6O2S2/c1-5-28-19-21-20-18(23(19)3)17-15-12-25(10-9-16(15)24(4)22-17)29(26,27)14-8-6-7-13(2)11-14/h6-8,11H,5,9-10,12H2,1-4H3

InChI Key

JPGXNCXSSDPWQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.64

Polar Surface Area

71.713

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L888-0080 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L888-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0080?
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What is the minimum amount of L888-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0080
  • 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 L888-0080 available by request