L942-0208 Screening compound: N-cyclohexyl-3-(1-{[(dimethylcarbamoyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide

L942-0208 Screening compound: N-cyclohexyl-3-(1-{[(dimethylcarbamoyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide
L942-0208 Screening compound: N-cyclohexyl-3-(1-{[(dimethylcarbamoyl)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 L942-0208
N-cyclohexyl-3-(1-{[(dimethylcarbamoyl)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

L942-0208

Molecular Formula

C22H28N6O3S (C22 H28 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CSc(n1-c2c3cccc2)nnc1N(CCC(NC1CCCCC1)=O)C3=O)=O

InChI

InChI=1S/C22H28N6O3S/c1-26(2)19(30)14-32-22-25-24-21-27(13-12-18(29)23-15-8-4-3-5-9-15)20(31)16-10-6-7-11-17(16)28(21)22/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,23,29)

InChI Key

SPEIVEPVELZRDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.32

Polar Surface Area

79.232

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L942-0208 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

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

References: we are preparing a list of scientific research reports with L942-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0208?
Check Price and Availability of L942-0208, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L942-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0208
  • 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 L942-0208 available by request