L942-0199 Screening compound: 3-(7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide

L942-0199 Screening compound: 3-(7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-N-(propan-2-yl)propanamide
L942-0199 Screening compound: 3-(7-chloro-1-{[(3-methoxyphenyl)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 L942-0199
3-(7-chloro-1-{[(3-methoxyphenyl)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

L942-0199

Molecular Formula

C23H24ClN5O3S (C23 H24 ClN5 O3 S)

Compound Name

3-(7-chloro-1-{[(3-methoxyphenyl)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-methoxyphenyl)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)nnc1SCc1cc(OC)ccc1)C3=O)=O

InChI

InChI=1S/C23H24ClN5O3S/c1-14(2)25-20(30)9-10-28-21(31)18-12-16(24)7-8-19(18)29-22(28)26-27-23(29)33-13-15-5-4-6-17(11-15)32-3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,30)

InChI Key

WALKKUPHWZBQEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.32

Polar Surface Area

70.551

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L942-0199 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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:
  • Infections
  • Immune system
  • animal
  • 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 L942-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0199?
Check Price and Availability of L942-0199, 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 L942-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0199
  • 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 L942-0199 available by request