M460-4040 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

M460-4040 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
M460-4040 Screening compound: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-4040
2-[3-oxo-8-(4-phenylpiperazin-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(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

M460-4040

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-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

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

SMILES

O=C(CN1N=C(C(N(CC2)CCN2c2ccccc2)=NC=C2)N2C1=O)Nc1cccc(C(F)(F)F)c1

InChI

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

InChI Key

JXWBUTNCPCBNBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542923

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

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.58

Polar Surface Area

68.469

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with M460-4040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4040?
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What is the minimum amount of M460-4040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4040
  • 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 M460-4040 available by request