L888-0092 Screening compound: 3-[5-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazole

L888-0092 Screening compound: 3-[5-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazole
L888-0092 Screening compound: 3-[5-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L888-0092
3-[5-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-5-(ethylsulfanyl)-4-methyl-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

L888-0092

Molecular Formula

C21H26N6O2S2 (C21 H26 N6 O2 S2)

Compound Name

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

IUPAC name

3-[5-(23-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-5-(ethylsulfanyl)-4-methyl-4H-124-triazole

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3S(c2cc(CCC3)c3cc2)(=O)=O)n1C

InChI

InChI=1S/C21H26N6O2S2/c1-4-30-21-23-22-20(25(21)2)19-17-13-27(11-10-18(17)26(3)24-19)31(28,29)16-9-8-14-6-5-7-15(14)12-16/h8-9,12H,4-7,10-11,13H2,1-3H3

InChI Key

IDFOHBITUSFNCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

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

2.878

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.34

Polar Surface Area

71.999

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L888-0092 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L888-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0092?
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What is the minimum amount of L888-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0092
  • 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 L888-0092 available by request