L942-0022 Screening compound: 3-(1-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide

L942-0022 Screening compound: 3-(1-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide
L942-0022 Screening compound: 3-(1-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L942-0022
3-(1-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-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

L942-0022

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(CCN(c(n1-c2c3cccc2)nnc1SCc(cccc1)c1Cl)C3=O)=O

InChI

InChI=1S/C22H22ClN5O2S/c1-14(2)24-19(29)11-12-27-20(30)16-8-4-6-10-18(16)28-21(27)25-26-22(28)31-13-15-7-3-5-9-17(15)23/h3-10,14H,11-13H2,1-2H3,(H,24,29)

InChI Key

XNMIVESDWCHYMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.86

Polar Surface Area

63.008

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L942-0022 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 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
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L942-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0022?
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What is the minimum amount of L942-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0022
  • 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 L942-0022 available by request