L942-0102 Screening compound: N-cyclopentyl-3-(1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide

L942-0102 Screening compound: N-cyclopentyl-3-(1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide
L942-0102 Screening compound: N-cyclopentyl-3-(1-{[(2-methylphenyl)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 L942-0102
N-cyclopentyl-3-(1-{[(2-methylphenyl)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

L942-0102

Molecular Formula

C25H27N5O2S (C25 H27 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(n2-c3c4cccc3)nnc2N(CCC(NC2CCCC2)=O)C4=O)cccc1

InChI

InChI=1S/C25H27N5O2S/c1-17-8-2-3-9-18(17)16-33-25-28-27-24-29(15-14-22(31)26-19-10-4-5-11-19)23(32)20-12-6-7-13-21(20)30(24)25/h2-3,6-9,12-13,19H,4-5,10-11,14-16H2,1H3,(H,26,31)

InChI Key

SMPQJTCMNFHZBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

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

4.329

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-4.19

Polar Surface Area

63.853

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L942-0102 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)

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
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L942-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0102?
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What is the minimum amount of L942-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0102
  • 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 L942-0102 available by request