M451-1769 Screening compound: ethyl 2-[2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamido]benzoate

M451-1769 Screening compound: ethyl 2-[2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamido]benzoate
M451-1769 Screening compound: ethyl 2-[2-(8-{[(4-chlorophenyl)methyl]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 M451-1769
ethyl 2-[2-(8-{[(4-chlorophenyl)methyl]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

M451-1769

Molecular Formula

C23H20ClN5O4S (C23 H20 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(CN1N=C(C(SCc(cc2)ccc2Cl)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C23H20ClN5O4S/c1-2-33-22(31)17-5-3-4-6-18(17)26-19(30)13-29-23(32)28-12-11-25-21(20(28)27-29)34-14-15-7-9-16(24)10-8-15/h3-12H,2,13-14H2,1H3,(H,26,30)

InChI Key

GEUFZSRHJPLINY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.84

Polar Surface Area

82.642

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M451-1769 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M451-1769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-1769?
Check Price and Availability of M451-1769, 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 M451-1769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-1769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-1769
  • 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 M451-1769 available by request