M113-1612 Screening compound: 2-butyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-1612 Screening compound: 2-butyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-1612 Screening compound: 2-butyl-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 M113-1612
2-butyl-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

M113-1612

Molecular Formula

C20H24FN5O3S (C20 H24 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN1N=C(C(S(N(CC2)CCN2c(cc2)ccc2F)(=O)=O)=CC=C2)N2C1=O

InChI

InChI=1S/C20H24FN5O3S/c1-2-3-11-26-20(27)25-10-4-5-18(19(25)22-26)30(28,29)24-14-12-23(13-15-24)17-8-6-16(21)7-9-17/h4-10H,2-3,11-15H2,1H3

InChI Key

DRLYILRTHISLOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497520

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

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.24

Polar Surface Area

66.523

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M113-1612 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M113-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-1612?
Check Price and Availability of M113-1612, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M113-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-1612
  • 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 M113-1612 available by request