L888-0408 Screening compound: 3-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole

L888-0408 Screening compound: 3-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazole
L888-0408 Screening compound: 3-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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 L888-0408
3-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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

L888-0408

Molecular Formula

C18H26N8O2S2 (C18 H26 N8 O2 S2)

Compound Name

3-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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-[(35-dimethyl-1H-pyrazol-4-yl)sulfonyl]-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(c1c(C)[nH]nc1C)(=O)=O

InChI

InChI=1S/C18H26N8O2S2/c1-6-26-17(21-22-18(26)29-7-2)15-13-10-25(9-8-14(13)24(5)23-15)30(27,28)16-11(3)19-20-12(16)4/h6-10H2,1-5H3,(H,19,20)

InChI Key

FUKZWRHFWAZXGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

1.189

Water Solubility, LogSw

-1.60

Polar Surface Area

94.543

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

L888-0408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 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
  • 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

References: we are preparing a list of scientific research reports with L888-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0408?
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What is the minimum amount of L888-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0408
  • 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 L888-0408 available by request