M460-2212 Screening compound: methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M460-2212 Screening compound: methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M460-2212 Screening compound: methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-2212
methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)-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

M460-2212

Molecular Formula

C19H20N6O4S (C19 H20 N6 O4 S)

Compound Name

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

IUPAC name

methyl 2-{2-[3-oxo-8-(thiomorpholin-4-yl)-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=C(C(N2CCSCC2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C19H20N6O4S/c1-29-18(27)13-4-2-3-5-14(13)21-15(26)12-25-19(28)24-7-6-20-16(17(24)22-25)23-8-10-30-11-9-23/h2-7H,8-12H2,1H3,(H,21,26)

InChI Key

WXBAXLKEFDVWSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.804

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-2.40

Polar Surface Area

85.685

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M460-2212 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 M460-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-2212?
Check Price and Availability of M460-2212, 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 M460-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-2212
  • 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 M460-2212 available by request