M114-0181 Screening compound: 1-[(3-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine

M114-0181 Screening compound: 1-[(3-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine
M114-0181 Screening compound: 1-[(3-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-0181
1-[(3-{[(2-fluorophenyl)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

M114-0181

Molecular Formula

C18H19FN4O2S2 (C18 H19 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1cccn2c(SCc(cccc3)c3F)nnc12)(N1CCCCC1)=O

InChI

InChI=1S/C18H19FN4O2S2/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

VODAFGMCOXUZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

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

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.17

Polar Surface Area

54.416

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M114-0181 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M114-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-0181?
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What is the minimum amount of M114-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-0181
  • 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 M114-0181 available by request