M113-1633 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[(2-methylphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-1633 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[(2-methylphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-1633 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[(2-methylphenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-1633
8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[(2-methylphenyl)methyl]-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

M113-1633

Molecular Formula

C24H24FN5O3S (C24 H24 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN2N=C(C(S(N(CC3)CCN3c(cc3)ccc3F)(=O)=O)=CC=C3)N3C2=O)cccc1

InChI

InChI=1S/C24H24FN5O3S/c1-18-5-2-3-6-19(18)17-30-24(31)29-12-4-7-22(23(29)26-30)34(32,33)28-15-13-27(14-16-28)21-10-8-20(25)9-11-21/h2-12H,13-17H2,1H3

InChI Key

AVPANGQPNFEQQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

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

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.79

Polar Surface Area

66.273

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M113-1633 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M113-1633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-1633?
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What is the minimum amount of M113-1633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-1633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-1633
  • 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 M113-1633 available by request