M451-3263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-3263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-3263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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 M451-3263
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

M451-3263

Molecular Formula

C21H16FN5O4S (C21 H16 FN5 O4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

O=C(CN1N=C(C(Sc2cc(F)ccc2)=NC=C2)N2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H16FN5O4S/c22-14-2-1-3-15(9-14)32-20-19-25-27(21(29)26(19)7-6-23-20)11-18(28)24-10-13-4-5-16-17(8-13)31-12-30-16/h1-9H,10-12H2,(H,24,28)

InChI Key

QYOXFGCWMJCKCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-2.86

Polar Surface Area

81.024

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M451-3263 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 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
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M451-3263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-3263?
Check Price and Availability of M451-3263, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M451-3263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-3263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-3263
  • 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 M451-3263 available by request