Y043-5242 Screening compound: 4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-quinolinecarboxamide

Y043-5242 Screening compound: 4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-quinolinecarboxamide
Y043-5242 Screening compound: 4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5242
4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-quinolinecarboxamide

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

Y043-5242

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-quinolinecarboxamide

IUPAC name

4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-{[124]triazolo[43-a]pyridin-3-yl}propyl]quinoline-3-carboxamide

SMILES

COc(cccc12)c2ncc(C(NC(CCSC)c2nnc3n2cccc3)=O)c1O

InChI

InChI=1S/C21H21N5O3S/c1-29-16-7-5-6-13-18(16)22-12-14(19(13)27)21(28)23-15(9-11-30-2)20-25-24-17-8-3-4-10-26(17)20/h3-8,10,12,15H,9,11H2,1-2H3,(H,22,27)(H,23,28)/t15-/m0/s1

InChI Key

URJRPMIGJXNTFH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.70

Polar Surface Area

78.625

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

Y043-5242 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y043-5242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5242?
Check Price and Availability of Y043-5242, 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 Y043-5242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5242
  • 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 Y043-5242 available by request