M446-1771 Screening compound: methyl 4-{2-[8-(3-fluorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M446-1771 Screening compound: methyl 4-{2-[8-(3-fluorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M446-1771 Screening compound: methyl 4-{2-[8-(3-fluorophenoxy)-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 M446-1771
methyl 4-{2-[8-(3-fluorophenoxy)-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

M446-1771

Molecular Formula

C21H16FN5O5 (C21 H16 FN5 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CN1N=C(C(Oc2cccc(F)c2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C21H16FN5O5/c1-31-20(29)13-5-7-15(8-6-13)24-17(28)12-27-21(30)26-10-9-23-19(18(26)25-27)32-16-4-2-3-14(22)11-16/h2-11H,12H2,1H3,(H,24,28)

InChI Key

NACOSGNEEMMQJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.305

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-3.00

Polar Surface Area

91.388

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M446-1771 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 M446-1771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-1771?
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What is the minimum amount of M446-1771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-1771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-1771
  • 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 M446-1771 available by request