M451-2059 Screening compound: ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamido)benzoate

M451-2059 Screening compound: ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamido)benzoate
M451-2059 Screening compound: ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-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 M451-2059
ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-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

M451-2059

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

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

IUPAC name

ethyl 4-(2-{8-[(24-dimethylphenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1N=C(C(Sc2c(C)cc(C)cc2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C24H23N5O4S/c1-4-33-23(31)17-6-8-18(9-7-17)26-20(30)14-29-24(32)28-12-11-25-22(21(28)27-29)34-19-10-5-15(2)13-16(19)3/h5-13H,4,14H2,1-3H3,(H,26,30)

InChI Key

OIACOJUTDNJFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.18

Polar Surface Area

83.340

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M451-2059 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 M451-2059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2059?
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What is the minimum amount of M451-2059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2059
  • 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 M451-2059 available by request