M113-1646 Screening compound: 2-[(3-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-1646 Screening compound: 2-[(3-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-1646 Screening compound: 2-[(3-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-1646
2-[(3-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

M113-1646

Molecular Formula

C23H21F2N5O3S (C23 H21 F2 N5 O3 S)

Compound Name

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

IUPAC name

2-[(3-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2S(N(CC3)CCN3c(cc3)ccc3F)(=O)=O)C2=NN1Cc1cc(F)ccc1

InChI

InChI=1S/C23H21F2N5O3S/c24-18-6-8-20(9-7-18)27-11-13-28(14-12-27)34(32,33)21-5-2-10-29-22(21)26-30(23(29)31)16-17-3-1-4-19(25)15-17/h1-10,15H,11-14,16H2

InChI Key

YRBZYNQYDGBDAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.38

Polar Surface Area

66.273

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M113-1646 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M113-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-1646?
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What is the minimum amount of M113-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-1646
  • 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 M113-1646 available by request