M446-0222 Screening compound: N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-0222 Screening compound: N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-0222 Screening compound: N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0222
N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-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

M446-0222

Molecular Formula

C21H18BrN5O3 (C21 H18 BrN5 O3)

Compound Name

N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

IUPAC name

N-(2-bromo-4-methylphenyl)-2-[8-(4-methylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

Cc(cc1)ccc1OC(C1=NN2CC(Nc(ccc(C)c3)c3Br)=O)=NC=CN1C2=O

InChI

InChI=1S/C21H18BrN5O3/c1-13-3-6-15(7-4-13)30-20-19-25-27(21(29)26(19)10-9-23-20)12-18(28)24-17-8-5-14(2)11-16(17)22/h3-11H,12H2,1-2H3,(H,24,28)

InChI Key

QYCBWDMNCMCHIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.67

Polar Surface Area

69.517

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with M446-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0222?
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What is the minimum amount of M446-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0222
  • 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 M446-0222 available by request