L940-0112 Screening compound: N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide

L940-0112 Screening compound: N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide
L940-0112 Screening compound: N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L940-0112
N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1,5-dioxo-1H,2H,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

L940-0112

Molecular Formula

C25H27FN6O4 (C25 H27 FN6 O4)

Compound Name

N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propanamide

IUPAC name

N-(butan-2-yl)-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazolin-4-yl)propanamide

SMILES

CCC(C)NC(CCN(C(N1c2c3cccc2)=NN(CC(Nc2cc(F)c(C)cc2)=O)C1=O)C3=O)=O

InChI

InChI=1S/C25H27FN6O4/c1-4-16(3)27-21(33)11-12-30-23(35)18-7-5-6-8-20(18)32-24(30)29-31(25(32)36)14-22(34)28-17-10-9-15(2)19(26)13-17/h5-10,13,16H,4,11-12,14H2,1-3H3,(H,27,33)(H,28,34)/t16-/m0/s1

InChI Key

XAYJHECHDGSDGM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD16635875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.47

Polar Surface Area

95.247

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L940-0112 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 L940-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L940-0112?
Check Price and Availability of L940-0112, 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 L940-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L940-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L940-0112
  • 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 L940-0112 available by request