M451-2248 Screening compound: methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamido)benzoate

M451-2248 Screening compound: methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamido)benzoate
M451-2248 Screening compound: methyl 3-(2-{8-[(3-fluorophenyl)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 M451-2248
methyl 3-(2-{8-[(3-fluorophenyl)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

M451-2248

Molecular Formula

C21H16FN5O4S (C21 H16 FN5 O4 S)

Compound Name

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

IUPAC name

methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamido)benzoate

SMILES

COC(c1cccc(NC(CN2N=C(C(Sc3cc(F)ccc3)=NC=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C21H16FN5O4S/c1-31-20(29)13-4-2-6-15(10-13)24-17(28)12-27-21(30)26-9-8-23-19(18(26)25-27)32-16-7-3-5-14(22)11-16/h2-11H,12H2,1H3,(H,24,28)

InChI Key

LJQJNOAJKYGNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.37

Polar Surface Area

83.760

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M451-2248 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 M451-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2248?
Check Price and Availability of M451-2248, 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 M451-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2248
  • 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 M451-2248 available by request