M113-0560 Screening compound: 8-(azepane-1-sulfonyl)-2-[(4-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0560 Screening compound: 8-(azepane-1-sulfonyl)-2-[(4-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0560 Screening compound: 8-(azepane-1-sulfonyl)-2-[(4-methoxyphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0560
8-(azepane-1-sulfonyl)-2-[(4-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

M113-0560

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

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

IUPAC name

8-(azepane-1-sulfonyl)-2-[(4-methoxyphenyl)methyl]-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

COc1ccc(CN2N=C(C(S(N3CCCCCC3)(=O)=O)=CC=C3)N3C2=O)cc1

InChI

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

InChI Key

NWITUOODIJHTMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497482

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

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.05

Polar Surface Area

70.887

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M113-0560 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M113-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0560?
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What is the minimum amount of M113-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0560
  • 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 M113-0560 available by request