G423-0138 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

G423-0138 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
G423-0138 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G423-0138
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

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

G423-0138

Molecular Formula

C23H20ClN5O4 (C23 H20 ClN5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]butanamide

SMILES

O=C(CCCc1nnc2n1C=CN(c(cc1)ccc1Cl)C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H20ClN5O4/c24-16-5-7-17(8-6-16)28-10-11-29-20(26-27-22(29)23(28)31)2-1-3-21(30)25-13-15-4-9-18-19(12-15)33-14-32-18/h4-12H,1-3,13-14H2,(H,25,30)

InChI Key

NYLMAECLJOENRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27140478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-2.72

Polar Surface Area

80.683

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G423-0138 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 G423-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G423-0138?
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What is the minimum amount of G423-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G423-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G423-0138
  • 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 G423-0138 available by request