M114-0096 Screening compound: 1-[(3-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

M114-0096 Screening compound: 1-[(3-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine
M114-0096 Screening compound: 1-[(3-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-0096
1-[(3-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

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

M114-0096

Molecular Formula

C18H20N4O2S2 (C18 H20 N4 O2 S2)

Compound Name

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

IUPAC name

1-[(3-{[(3-methylphenyl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]pyrrolidine

SMILES

Cc1cccc(CSc2nnc3n2cccc3S(N2CCCC2)(=O)=O)c1

InChI

InChI=1S/C18H20N4O2S2/c1-14-6-4-7-15(12-14)13-25-18-20-19-17-16(8-5-11-22(17)18)26(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3

InChI Key

AQDKLWKOMNFMME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

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

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.17

Polar Surface Area

54.782

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M114-0096 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M114-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-0096?
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What is the minimum amount of M114-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-0096
  • 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 M114-0096 available by request