G861-0030 Screening compound: 6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0030 Screening compound: 6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0030 Screening compound: 6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0030
6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

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

G861-0030

Molecular Formula

C24H16N4O4 (C24 H16 N4 O4)

Compound Name

6-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

6-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-2-phenyl-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

O=C(CN(c(cccc1)c1-c1nc(-c2ccccc2)nn11)C1=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C24H16N4O4/c29-19(16-10-11-20-21(12-16)32-14-31-20)13-27-18-9-5-4-8-17(18)23-25-22(26-28(23)24(27)30)15-6-2-1-3-7-15/h1-12H,13-14H2

InChI Key

ILORCFVMFBXDCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.52

Polar Surface Area

69.458

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

G861-0030 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G861-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0030?
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What is the minimum amount of G861-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0030
  • 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 G861-0030 available by request