M113-0668 Screening compound: ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

M113-0668 Screening compound: ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
M113-0668 Screening compound: ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0668
ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

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

M113-0668

Molecular Formula

C14H18N4O6S (C14 H18 N4 O6 S)

Compound Name

ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

IUPAC name

ethyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

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

InChI

InChI=1S/C14H18N4O6S/c1-2-24-12(19)10-18-14(20)17-5-3-4-11(13(17)15-18)25(21,22)16-6-8-23-9-7-16/h3-5H,2,6-10H2,1H3

InChI Key

ZXFUBAVDEUKTMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.161

Distribution Coefficient, logD

-0.161

Water Solubility, LogSw

-1.09

Polar Surface Area

91.351

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M113-0668 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M113-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0668?
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What is the minimum amount of M113-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0668
  • 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 M113-0668 available by request