M451-2227 Screening compound: N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2227 Screening compound: N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2227 Screening compound: N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)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 M451-2227
N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)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

M451-2227

Molecular Formula

C21H18FN5O4S (C21 H18 FN5 O4 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

COc(cc1)cc(NC(CN2N=C(C(Sc3cc(F)ccc3)=NC=C3)N3C2=O)=O)c1OC

InChI

InChI=1S/C21H18FN5O4S/c1-30-14-6-7-17(31-2)16(11-14)24-18(28)12-27-21(29)26-9-8-23-20(19(26)25-27)32-15-5-3-4-13(22)10-15/h3-11H,12H2,1-2H3,(H,24,28)

InChI Key

HCCFHZHIYKKQEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-3.03

Polar Surface Area

77.063

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M451-2227 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 M451-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2227?
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What is the minimum amount of M451-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2227
  • 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 M451-2227 available by request