M114-1428 Screening compound: 1-(4-fluorophenyl)-4-({3-[(3-methylbutyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl}sulfonyl)piperazine

M114-1428 Screening compound: 1-(4-fluorophenyl)-4-({3-[(3-methylbutyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl}sulfonyl)piperazine
M114-1428 Screening compound: 1-(4-fluorophenyl)-4-({3-[(3-methylbutyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl}sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M114-1428
1-(4-fluorophenyl)-4-({3-[(3-methylbutyl)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

M114-1428

Molecular Formula

C21H26FN5O2S2 (C21 H26 FN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCSc1nnc2n1cccc2S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H26FN5O2S2/c1-16(2)9-15-30-21-24-23-20-19(4-3-10-27(20)21)31(28,29)26-13-11-25(12-14-26)18-7-5-17(22)6-8-18/h3-8,10,16H,9,11-15H2,1-2H3

InChI Key

DQXHGNCRAUDPFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.67

Polar Surface Area

57.948

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M114-1428 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M114-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M114-1428?
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What is the minimum amount of M114-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M114-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M114-1428
  • 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 M114-1428 available by request