L888-0406 Screening compound: 3-[5-(3-chloro-4-methoxybenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole

L888-0406 Screening compound: 3-[5-(3-chloro-4-methoxybenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole
L888-0406 Screening compound: 3-[5-(3-chloro-4-methoxybenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L888-0406
3-[5-(3-chloro-4-methoxybenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-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

L888-0406

Molecular Formula

C20H25ClN6O3S2 (C20 H25 ClN6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC)nnc1-c1nn(C)c(CC2)c1CN2S(c(cc1)cc(Cl)c1OC)(=O)=O

InChI

InChI=1S/C20H25ClN6O3S2/c1-5-27-19(22-23-20(27)31-6-2)18-14-12-26(10-9-16(14)25(3)24-18)32(28,29)13-7-8-17(30-4)15(21)11-13/h7-8,11H,5-6,9-10,12H2,1-4H3

InChI Key

JMHSSBBBMPMLDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.36

Polar Surface Area

78.258

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L888-0406 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 L888-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0406?
Check Price and Availability of L888-0406, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L888-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0406
  • 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 L888-0406 available by request