M446-0452 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-0452 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-0452 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0452
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]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

M446-0452

Molecular Formula

C21H15ClF3N5O4 (C21 H15 ClF3 N5 O4)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

COc1cccc(OC(C2=NN3CC(Nc(cc(C(F)(F)F)cc4)c4Cl)=O)=NC=CN2C3=O)c1

InChI

InChI=1S/C21H15ClF3N5O4/c1-33-13-3-2-4-14(10-13)34-19-18-28-30(20(32)29(18)8-7-26-19)11-17(31)27-16-9-12(21(23,24)25)5-6-15(16)22/h2-10H,11H2,1H3,(H,27,31)

InChI Key

FDQXTLABLMKPSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.92

Polar Surface Area

77.060

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M446-0452 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M446-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0452?
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What is the minimum amount of M446-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0452
  • 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 M446-0452 available by request