M451-2165 Screening compound: N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2165 Screening compound: N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2165 Screening compound: N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2165
N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-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

M451-2165

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(3-chlorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

CCc(cccc1)c1SC(C1=NN2CC(Nc3cccc(Cl)c3)=O)=NC=CN1C2=O

InChI

InChI=1S/C21H18ClN5O2S/c1-2-14-6-3-4-9-17(14)30-20-19-25-27(21(29)26(19)11-10-23-20)13-18(28)24-16-8-5-7-15(22)12-16/h3-12H,2,13H2,1H3,(H,24,28)

InChI Key

SANKCUNVNUGCAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.29

Polar Surface Area

62.586

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with M451-2165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2165?
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What is the minimum amount of M451-2165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2165
  • 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 M451-2165 available by request