M460-4039 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

M460-4039 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
M460-4039 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-4039
2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

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

M460-4039

Molecular Formula

C24H22F3N7O2 (C24 H22 F3 N7 O2)

Compound Name

2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN1N=C(C(N(CC2)CCN2c2ccccc2)=NC=C2)N2C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C24H22F3N7O2/c25-24(26,27)18-8-4-5-9-19(18)29-20(35)16-34-23(36)33-11-10-28-21(22(33)30-34)32-14-12-31(13-15-32)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,29,35)

InChI Key

XIOABUPFPOVGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.49

Polar Surface Area

67.771

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M460-4039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M460-4039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4039?
Check Price and Availability of M460-4039, 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 M460-4039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4039
  • 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 M460-4039 available by request