M451-2193 Screening compound: N-(4-bromo-2-methylphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2193 Screening compound: N-(4-bromo-2-methylphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2193 Screening compound: N-(4-bromo-2-methylphenyl)-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 M451-2193
N-(4-bromo-2-methylphenyl)-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

M451-2193

Molecular Formula

C22H20BrN5O2S (C22 H20 BrN5 O2 S)

Compound Name

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

IUPAC name

N-(4-bromo-2-methylphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

CCc(cccc1)c1SC(C1=NN2CC(Nc(cc3)c(C)cc3Br)=O)=NC=CN1C2=O

InChI

InChI=1S/C22H20BrN5O2S/c1-3-15-6-4-5-7-18(15)31-21-20-26-28(22(30)27(20)11-10-24-21)13-19(29)25-17-9-8-16(23)12-14(17)2/h4-12H,3,13H2,1-2H3,(H,25,29)

InChI Key

YNLGHRXDTSXWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.4

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

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.14

Polar Surface Area

61.889

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M451-2193 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M451-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2193?
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What is the minimum amount of M451-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2193
  • 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 M451-2193 available by request