M446-2598 Screening compound: 2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

M446-2598 Screening compound: 2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
M446-2598 Screening compound: 2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-2598
2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]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

M446-2598

Molecular Formula

C23H23N5O4 (C23 H23 N5 O4)

Compound Name

2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[8-(35-dimethylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

Cc1cc(OC(C2=NN3CC(NCc(cc4)ccc4OC)=O)=NC=CN2C3=O)cc(C)c1

InChI

InChI=1S/C23H23N5O4/c1-15-10-16(2)12-19(11-15)32-22-21-26-28(23(30)27(21)9-8-24-22)14-20(29)25-13-17-4-6-18(31-3)7-5-17/h4-12H,13-14H2,1-3H3,(H,25,29)

InChI Key

MYGIGXVFSPOWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

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

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.89

Polar Surface Area

79.080

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M446-2598 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M446-2598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-2598?
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What is the minimum amount of M446-2598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-2598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-2598
  • 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 M446-2598 available by request