M113-1611 Screening compound: 8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-2-(2-METHYLPROPYL)-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE

M113-1611 Screening compound: 8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-2-(2-METHYLPROPYL)-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE
M113-1611 Screening compound: 8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-2-(2-METHYLPROPYL)-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-1611
8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-2-(2-METHYLPROPYL)-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

M113-1611

Molecular Formula

C20H24FN5O3S (C20 H24 FN5 O3 S)

Compound Name

8-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-2-(2-METHYLPROPYL)-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE

IUPAC name

n/a

SMILES

CC(C)CN1N=C(C(S(N(CC2)CCN2c(cc2)ccc2F)(=O)=O)=CC=C2)N2C1=O

InChI

InChI=1S/C20H24FN5O3S/c1-15(2)14-26-20(27)25-9-3-4-18(19(25)22-26)30(28,29)24-12-10-23(11-13-24)17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3

InChI Key

XHPKYOBMZIFQDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

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

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.27

Polar Surface Area

66.544

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M113-1611 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M113-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-1611?
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What is the minimum amount of M113-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-1611
  • 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 M113-1611 available by request