L942-0101 Screening compound: 3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

L942-0101 Screening compound: 3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide
L942-0101 Screening compound: 3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L942-0101
3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

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

L942-0101

Molecular Formula

C19H20N6O2S (C19 H20 N6 O2 S)

Compound Name

3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

IUPAC name

3-{1-[(cyanomethyl)sulfanyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-4-yl}-N-cyclopentylpropanamide

SMILES

N#CCSc(n1-c2c3cccc2)nnc1N(CCC(NC1CCCC1)=O)C3=O

InChI

InChI=1S/C19H20N6O2S/c20-10-12-28-19-23-22-18-24(11-9-16(26)21-13-5-1-2-6-13)17(27)14-7-3-4-8-15(14)25(18)19/h3-4,7-8,13H,1-2,5-6,9,11-12H2,(H,21,26)

InChI Key

CCABLNRZELMFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.515

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-2.43

Polar Surface Area

81.617

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L942-0101 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L942-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L942-0101?
Check Price and Availability of L942-0101, 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 L942-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L942-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L942-0101
  • 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 L942-0101 available by request