L888-0419 Screening compound: 3-[5-(2,5-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole

L888-0419 Screening compound: 3-[5-(2,5-difluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole
L888-0419 Screening compound: 3-[5-(2,5-difluorobenzenesulfonyl)-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 L888-0419
3-[5-(2,5-difluorobenzenesulfonyl)-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

L888-0419

Molecular Formula

C19H22F2N6O2S2 (C19 H22 F2 N6 O2 S2)

Compound Name

3-[5-(2,5-difluorobenzenesulfonyl)-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-(25-difluorobenzenesulfonyl)-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(cc(cc1)F)c1F)(=O)=O

InChI

InChI=1S/C19H22F2N6O2S2/c1-4-27-18(22-23-19(27)30-5-2)17-13-11-26(9-8-15(13)25(3)24-17)31(28,29)16-10-12(20)6-7-14(16)21/h6-7,10H,4-5,8-9,11H2,1-3H3

InChI Key

MLBMJJHXUVCTJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

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

2.635

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-2.93

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

42.10

L888-0419 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 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
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L888-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0419?
Check Price and Availability of L888-0419, 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 L888-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0419
  • 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 L888-0419 available by request