L942-0086 Screening compound: N-(butan-2-yl)-3-{1-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}propanamide

L942-0086 Screening compound: N-(butan-2-yl)-3-{1-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}propanamide
L942-0086 Screening compound: N-(butan-2-yl)-3-{1-[({[(furan-2-yl)methyl]carbamoyl}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 L942-0086
N-(butan-2-yl)-3-{1-[({[(furan-2-yl)methyl]carbamoyl}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

L942-0086

Molecular Formula

C23H26N6O4S (C23 H26 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CCN(c(n1-c2c3cccc2)nnc1SCC(NCc1ccco1)=O)C3=O)=O

InChI

InChI=1S/C23H26N6O4S/c1-3-15(2)25-19(30)10-11-28-21(32)17-8-4-5-9-18(17)29-22(28)26-27-23(29)34-14-20(31)24-13-16-7-6-12-33-16/h4-9,12,15H,3,10-11,13-14H2,1-2H3,(H,24,31)(H,25,30)/t15-/m0/s1

InChI Key

SYKMANMXVXVPJI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15137679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.78

Polar Surface Area

95.695

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L942-0086 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L942-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0086?
Check Price and Availability of L942-0086, 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 L942-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0086
  • 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 L942-0086 available by request