M446-1413 Screening compound: ethyl 4-{2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M446-1413 Screening compound: ethyl 4-{2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M446-1413 Screening compound: ethyl 4-{2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-1413
ethyl 4-{2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

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

M446-1413

Molecular Formula

C24H23N5O5 (C24 H23 N5 O5)

Compound Name

ethyl 4-{2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[8-(23-dimethylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1N=C(C(Oc2c(C)c(C)ccc2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C24H23N5O5/c1-4-33-23(31)17-8-10-18(11-9-17)26-20(30)14-29-24(32)28-13-12-25-22(21(28)27-29)34-19-7-5-6-15(2)16(19)3/h5-13H,4,14H2,1-3H3,(H,26,30)

InChI Key

AGYPHYZGBLZSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.71

Polar Surface Area

91.055

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M446-1413 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 M446-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-1413?
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What is the minimum amount of M446-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-1413
  • 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 M446-1413 available by request