M114-0185 Screening compound: 1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine

M114-0185 Screening compound: 1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine
M114-0185 Screening compound: 1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-0185
1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine

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

M114-0185

Molecular Formula

C18H19ClN4O2S2 (C18 H19 ClN4 O2 S2)

Compound Name

1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine

IUPAC name

1-[(3-{[(2-chlorophenyl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]piperidine

SMILES

O=S(c1cccn2c(SCc(cccc3)c3Cl)nnc12)(N1CCCCC1)=O

InChI

InChI=1S/C18H19ClN4O2S2/c19-15-8-3-2-7-14(15)13-26-18-21-20-17-16(9-6-12-23(17)18)27(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2

InChI Key

FIJWWMIVLBKBBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.46

Polar Surface Area

54.416

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M114-0185 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M114-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-0185?
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What is the minimum amount of M114-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-0185
  • 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 M114-0185 available by request