M113-0652 Screening compound: 2-(2-methylpropyl)-8-(morpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0652 Screening compound: 2-(2-methylpropyl)-8-(morpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0652 Screening compound: 2-(2-methylpropyl)-8-(morpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0652
2-(2-methylpropyl)-8-(morpholine-4-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

M113-0652

Molecular Formula

C14H20N4O4S (C14 H20 N4 O4 S)

Compound Name

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

IUPAC name

2-(2-methylpropyl)-8-(morpholine-4-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

CC(C)CN1N=C(C(S(N2CCOCC2)(=O)=O)=CC=C2)N2C1=O

InChI

InChI=1S/C14H20N4O4S/c1-11(2)10-18-14(19)17-5-3-4-12(13(17)15-18)23(20,21)16-6-8-22-9-7-16/h3-5,11H,6-10H2,1-2H3

InChI Key

JEJATXDXAIXBCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

0.999

Water Solubility, LogSw

-1.49

Polar Surface Area

71.192

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

M113-0652 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M113-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0652?
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What is the minimum amount of M113-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0652
  • 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 M113-0652 available by request