M114-1450 Screening compound: 1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperazine

M114-1450 Screening compound: 1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperazine
M114-1450 Screening compound: 1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-1450
1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperazine

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

M114-1450

Molecular Formula

C22H21FN6O2S2 (C22 H21 FN6 O2 S2)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]piperazine

SMILES

O=S(c1cccn2c(SCc3ccncc3)nnc12)(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2

InChI Key

VMWBAYJPEDALSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.05

Polar Surface Area

67.105

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M114-1450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M114-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-1450?
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What is the minimum amount of M114-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-1450
  • 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 M114-1450 available by request