M446-2097 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-2097 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-2097 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-2097
N-(3-chloro-4-fluorophenyl)-2-[8-(3,5-dimethylphenoxy)-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

M446-2097

Molecular Formula

C21H17ClFN5O3 (C21 H17 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OC(C2=NN3CC(Nc(cc4)cc(Cl)c4F)=O)=NC=CN2C3=O)cc(C)c1

InChI

InChI=1S/C21H17ClFN5O3/c1-12-7-13(2)9-15(8-12)31-20-19-26-28(21(30)27(19)6-5-24-20)11-18(29)25-14-3-4-17(23)16(22)10-14/h3-10H,11H2,1-2H3,(H,25,29)

InChI Key

WBBDALVAQVTHJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.85

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

3.704

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.17

Polar Surface Area

70.214

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with M446-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-2097?
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What is the minimum amount of M446-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-2097
  • 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 M446-2097 available by request