L942-0264 Screening compound: 3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide

L942-0264 Screening compound: 3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide
L942-0264 Screening compound: 3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]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 L942-0264
3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]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

L942-0264

Molecular Formula

C21H27ClN6O4S (C21 H27 ClN6 O4 S)

Compound Name

3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide

IUPAC name

3-[7-chloro-1-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-4-yl]-N-(propan-2-yl)propanamide

SMILES

CC(C)NC(CCN(c(n1-c(cc2)c3cc2Cl)nnc1SCC(NCCCOC)=O)C3=O)=O

InChI

InChI=1S/C21H27ClN6O4S/c1-13(2)24-17(29)7-9-27-19(31)15-11-14(22)5-6-16(15)28-20(27)25-26-21(28)33-12-18(30)23-8-4-10-32-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,23,30)(H,24,29)

InChI Key

CLQICGUMQUDXPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.368

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.89

Polar Surface Area

95.935

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L942-0264 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L942-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0264?
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What is the minimum amount of L942-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0264
  • 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 L942-0264 available by request