M114-0124 Screening compound: 1-[(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

M114-0124 Screening compound: 1-[(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine
M114-0124 Screening compound: 1-[(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-0124
1-[(3-{[(2-chloro-6-fluorophenyl)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

M114-0124

Molecular Formula

C17H16ClFN4O2S2 (C17 H16 ClFN4 O2 S2)

Compound Name

1-[(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]pyrrolidine

IUPAC name

1-[(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]pyrrolidine

SMILES

O=S(c1cccn2c(SCc(c(F)ccc3)c3Cl)nnc12)(N1CCCC1)=O

InChI

InChI=1S/C17H16ClFN4O2S2/c18-13-5-3-6-14(19)12(13)11-26-17-21-20-16-15(7-4-10-23(16)17)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2

InChI Key

PWCNZVQFFYGGOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

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

3.073

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.55

Polar Surface Area

54.782

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M114-0124 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 M114-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-0124?
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What is the minimum amount of M114-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-0124
  • 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 M114-0124 available by request