L942-0030 Screening compound: 3-(1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide

L942-0030 Screening compound: 3-(1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide
L942-0030 Screening compound: 3-(1-{[(2-chloro-4-fluorophenyl)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 L942-0030
3-(1-{[(2-chloro-4-fluorophenyl)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

L942-0030

Molecular Formula

C22H21ClFN5O2S (C22 H21 ClFN5 O2 S)

Compound Name

3-(1-{[(2-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)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(ccc(F)c1)c1Cl)C3=O)=O

InChI

InChI=1S/C22H21ClFN5O2S/c1-13(2)25-19(30)9-10-28-20(31)16-5-3-4-6-18(16)29-21(28)26-27-22(29)32-12-14-7-8-15(24)11-17(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,30)

InChI Key

RNIBNRNXKYSNDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.96

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

3.747

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.15

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

L942-0030 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L942-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0030?
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What is the minimum amount of L942-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0030
  • 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 L942-0030 available by request