M113-0689 Screening compound: tert-butyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

M113-0689 Screening compound: tert-butyl 2-[8-(morpholine-4-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
M113-0689 Screening compound: tert-butyl 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 M113-0689
tert-butyl 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

M113-0689

Molecular Formula

C16H22N4O6S (C16 H22 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H22N4O6S/c1-16(2,3)26-13(21)11-20-15(22)19-6-4-5-12(14(19)17-20)27(23,24)18-7-9-25-10-8-18/h4-6H,7-11H2,1-3H3

InChI Key

SYKGUPDQKGPZEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

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

0.729

Distribution Coefficient, logD

0.729

Water Solubility, LogSw

-1.40

Polar Surface Area

90.461

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with M113-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0689?
Check Price and Availability of M113-0689, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M113-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0689
  • 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 M113-0689 available by request