G861-0161 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0161 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0161 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0161
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-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

G861-0161

Molecular Formula

C28H30N6O5 (C28 H30 N6 O5)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-89-dimethoxy-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

CCOc(cc1)ccc1C(CN(c(cc(c(OC)c1)OC)c1-c1nc(CCn2nc(C)cc2C)nn11)C1=O)=O

InChI

InChI=1S/C28H30N6O5/c1-6-39-20-9-7-19(8-10-20)23(35)16-32-22-15-25(38-5)24(37-4)14-21(22)27-29-26(31-34(27)28(32)36)11-12-33-18(3)13-17(2)30-33/h7-10,13-15H,6,11-12,16H2,1-5H3

InChI Key

MWQHFSBTNIQONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.32

Polar Surface Area

89.702

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G861-0161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 G861-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0161?
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What is the minimum amount of G861-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0161
  • 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 G861-0161 available by request