M113-0177 Screening compound: tert-butyl 2-[3-oxo-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

M113-0177 Screening compound: tert-butyl 2-[3-oxo-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
M113-0177 Screening compound: tert-butyl 2-[3-oxo-8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0177
tert-butyl 2-[3-oxo-8-(piperidine-1-sulfonyl)-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

M113-0177

Molecular Formula

C17H24N4O5S (C17 H24 N4 O5 S)

Compound Name

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

IUPAC name

tert-butyl 2-[3-oxo-8-(piperidine-1-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

CC(C)(C)OC(CN1N=C(C(S(N2CCCCC2)(=O)=O)=CC=C2)N2C1=O)=O

InChI

InChI=1S/C17H24N4O5S/c1-17(2,3)26-14(22)12-21-16(23)20-11-7-8-13(15(20)18-21)27(24,25)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3

InChI Key

KBYALKFYIQMEQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-1.92

Polar Surface Area

82.552

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

M113-0177 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 M113-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0177?
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What is the minimum amount of M113-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0177
  • 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 M113-0177 available by request