M446-2646 Screening compound: 2-[8-(2-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methoxyphenyl)acetamide

M446-2646 Screening compound: 2-[8-(2-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methoxyphenyl)acetamide
M446-2646 Screening compound: 2-[8-(2-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-2646
2-[8-(2-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methoxyphenyl)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

M446-2646

Molecular Formula

C20H16ClN5O4 (C20 H16 ClN5 O4)

Compound Name

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

IUPAC name

2-[8-(2-chlorophenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN2N=C(C(Oc(cccc3)c3Cl)=NC=C3)N3C2=O)=O)c1

InChI

InChI=1S/C20H16ClN5O4/c1-29-14-6-4-5-13(11-14)23-17(27)12-26-20(28)25-10-9-22-19(18(25)24-26)30-16-8-3-2-7-15(16)21/h2-11H,12H2,1H3,(H,23,27)

InChI Key

AAHPGUAFHRBHTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.48

Polar Surface Area

77.845

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M446-2646 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M446-2646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-2646?
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What is the minimum amount of M446-2646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-2646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-2646
  • 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 M446-2646 available by request