L888-0400 Screening compound: 3-{5-[(5-chlorothiophen-2-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

L888-0400 Screening compound: 3-{5-[(5-chlorothiophen-2-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
L888-0400 Screening compound: 3-{5-[(5-chlorothiophen-2-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 L888-0400
3-{5-[(5-chlorothiophen-2-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

L888-0400

Molecular Formula

C17H21ClN6O2S3 (C17 H21 ClN6 O2 S3)

Compound Name

3-{5-[(5-chlorothiophen-2-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-[(5-chlorothiophen-2-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(c(s1)ccc1Cl)(=O)=O

InChI

InChI=1S/C17H21ClN6O2S3/c1-4-24-16(19-20-17(24)27-5-2)15-11-10-23(9-8-12(11)22(3)21-15)29(25,26)14-7-6-13(18)28-14/h6-7H,4-5,8-10H2,1-3H3

InChI Key

SNRIWGSJEFWTNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.04

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

2.935

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.41

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

L888-0400 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L888-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0400?
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What is the minimum amount of L888-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0400
  • 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 L888-0400 available by request