M446-0533 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M446-0533 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M446-0533 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0533
N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-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

M446-0533

Molecular Formula

C22H19ClFN5O3 (C22 H19 ClFN5 O3)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy]-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

CC(C)c(cc1)ccc1OC(C1=NN2CC(Nc(ccc(Cl)c3)c3F)=O)=NC=CN1C2=O

InChI

InChI=1S/C22H19ClFN5O3/c1-13(2)14-3-6-16(7-4-14)32-21-20-27-29(22(31)28(20)10-9-25-21)12-19(30)26-18-8-5-15(23)11-17(18)24/h3-11,13H,12H2,1-2H3,(H,26,30)

InChI Key

ASQFVEXSURXAJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.79

Polar Surface Area

69.517

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M446-0533 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 M446-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0533?
Check Price and Availability of M446-0533, 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 M446-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0533
  • 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 M446-0533 available by request