L888-0398 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[1-methyl-5-(thiophene-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

L888-0398 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[1-methyl-5-(thiophene-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
L888-0398 Screening compound: 4-ethyl-3-(ethylsulfanyl)-5-[1-methyl-5-(thiophene-2-sulfonyl)-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 L888-0398
4-ethyl-3-(ethylsulfanyl)-5-[1-methyl-5-(thiophene-2-sulfonyl)-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

L888-0398

Molecular Formula

C17H22N6O2S3 (C17 H22 N6 O2 S3)

Compound Name

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

IUPAC name

4-ethyl-3-(ethylsulfanyl)-5-[1-methyl-5-(thiophene-2-sulfonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4H-124-triazole

SMILES

CCn1c(SCC)nnc1-c1nn(C)c(CC2)c1CN2S(c1cccs1)(=O)=O

InChI

InChI=1S/C17H22N6O2S3/c1-4-23-16(18-19-17(23)26-5-2)15-12-11-22(9-8-13(12)21(3)20-15)28(24,25)14-7-6-10-27-14/h6-7,10H,4-5,8-9,11H2,1-3H3

InChI Key

VSVWQGSJCDYKEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.6

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

2.159

Distribution Coefficient, logD

2.132

Water Solubility, LogSw

-2.48

Polar Surface Area

71.646

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

L888-0398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L888-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0398?
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What is the minimum amount of L888-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0398
  • 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 L888-0398 available by request