M113-0559 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0559 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0559 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0559
8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

M113-0559

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

8-(azepane-1-sulfonyl)-2-[(3-methoxyphenyl)methyl]-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

COc1cccc(CN2N=C(C(S(N3CCCCCC3)(=O)=O)=CC=C3)N3C2=O)c1

InChI

InChI=1S/C20H24N4O4S/c1-28-17-9-6-8-16(14-17)15-24-20(25)23-13-7-10-18(19(23)21-24)29(26,27)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12,15H2,1H3

InChI Key

QPPQZJQLKGPNLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-3.25

Polar Surface Area

70.887

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M113-0559 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M113-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0559?
Check Price and Availability of M113-0559, 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 M113-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0559
  • 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 M113-0559 available by request