M113-0085 Screening compound: 2-(2-phenoxyethyl)-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0085 Screening compound: 2-(2-phenoxyethyl)-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0085 Screening compound: 2-(2-phenoxyethyl)-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0085
2-(2-phenoxyethyl)-8-(pyrrolidine-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

M113-0085

Molecular Formula

C18H20N4O4S (C18 H20 N4 O4 S)

Compound Name

2-(2-phenoxyethyl)-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

2-(2-phenoxyethyl)-8-(pyrrolidine-1-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2S(N3CCCC3)(=O)=O)C2=NN1CCOc1ccccc1

InChI

InChI=1S/C18H20N4O4S/c23-18-21-12-6-9-16(27(24,25)20-10-4-5-11-20)17(21)19-22(18)13-14-26-15-7-2-1-3-8-15/h1-3,6-9,12H,4-5,10-11,13-14H2

InChI Key

OAGPENBIRQCFMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.38

Polar Surface Area

70.774

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M113-0085 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M113-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0085?
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What is the minimum amount of M113-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0085
  • 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 M113-0085 available by request