L942-0236 Screening compound: N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

L942-0236 Screening compound: N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
L942-0236 Screening compound: N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L942-0236
N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

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

L942-0236

Molecular Formula

C22H28N6O4S (C22 H28 N6 O4 S)

Compound Name

N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

IUPAC name

N-cyclopentyl-3-[1-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-4-yl]propanamide

SMILES

COCCNC(CSc(n1-c2c3cccc2)nnc1N(CCC(NC1CCCC1)=O)C3=O)=O

InChI

InChI=1S/C22H28N6O4S/c1-32-13-11-23-19(30)14-33-22-26-25-21-27(12-10-18(29)24-15-6-2-3-7-15)20(31)16-8-4-5-9-17(16)28(21)22/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,23,30)(H,24,29)

InChI Key

SGSWYWBWCAEQDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.942

Distribution Coefficient, logD

0.942

Water Solubility, LogSw

-2.30

Polar Surface Area

96.780

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L942-0236 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L942-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0236?
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What is the minimum amount of L942-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0236
  • 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 L942-0236 available by request