G861-0086 Screening compound: 6-[2-(1H-indol-3-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0086 Screening compound: 6-[2-(1H-indol-3-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0086 Screening compound: 6-[2-(1H-indol-3-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0086
6-[2-(1H-indol-3-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-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

G861-0086

Molecular Formula

C26H19N5O3 (C26 H19 N5 O3)

Compound Name

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

IUPAC name

6-[2-(1H-indol-3-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

COc(cc1)ccc1-c(nc1-c(cccc2)c2N2CC(c3c[nH]c4c3cccc4)=O)nn1C2=O

InChI

InChI=1S/C26H19N5O3/c1-34-17-12-10-16(11-13-17)24-28-25-19-7-3-5-9-22(19)30(26(33)31(25)29-24)15-23(32)20-14-27-21-8-4-2-6-18(20)21/h2-14,27H,15H2,1H3

InChI Key

NRDMSLWQLOXTAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-4.29

Polar Surface Area

69.757

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

G861-0086 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G861-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0086?
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What is the minimum amount of G861-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0086
  • 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 G861-0086 available by request