M113-0164 Screening compound: 2-[(3-methylphenyl)methyl]-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0164 Screening compound: 2-[(3-methylphenyl)methyl]-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0164 Screening compound: 2-[(3-methylphenyl)methyl]-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0164
2-[(3-methylphenyl)methyl]-8-(piperidine-1-sulfonyl)-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

M113-0164

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN2N=C(C(S(N3CCCCC3)(=O)=O)=CC=C3)N3C2=O)c1

InChI

InChI=1S/C19H22N4O3S/c1-15-7-5-8-16(13-15)14-23-19(24)22-12-6-9-17(18(22)20-23)27(25,26)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3

InChI Key

CAIIPRGZSQVIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.17

Polar Surface Area

63.012

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M113-0164 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M113-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0164?
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What is the minimum amount of M113-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0164
  • 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 M113-0164 available by request