L888-0413 Screening compound: 3-[5-(2-chlorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole

L888-0413 Screening compound: 3-[5-(2-chlorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole
L888-0413 Screening compound: 3-[5-(2-chlorobenzenesulfonyl)-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 L888-0413
3-[5-(2-chlorobenzenesulfonyl)-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

L888-0413

Molecular Formula

C19H23ClN6O2S2 (C19 H23 ClN6 O2 S2)

Compound Name

3-[5-(2-chlorobenzenesulfonyl)-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-(2-chlorobenzenesulfonyl)-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(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C19H23ClN6O2S2/c1-4-26-18(21-22-19(26)29-5-2)17-13-12-25(11-10-15(13)24(3)23-17)30(27,28)16-9-7-6-8-14(16)20/h6-9H,4-5,10-12H2,1-3H3

InChI Key

RBMARHOJDYUSGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.02

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

2.712

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.34

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

L888-0413 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • 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 L888-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0413?
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What is the minimum amount of L888-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0413
  • 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 L888-0413 available by request