G861-0165 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0165 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0165 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(2,5-dimethylphenyl)-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 G861-0165
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(2,5-dimethylphenyl)-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

G861-0165

Molecular Formula

C28H30N6O4 (C28 H30 N6 O4)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[2-(2,5-dimethylphenyl)-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-(25-dimethylphenyl)-2-oxoethyl]-89-dimethoxy-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

Cc1cc(C)nn1CCc(nc1-c(cc(c(OC)c2)OC)c2N2CC(c3c(C)ccc(C)c3)=O)nn1C2=O

InChI

InChI=1S/C28H30N6O4/c1-16-7-8-17(2)20(11-16)23(35)15-32-22-14-25(38-6)24(37-5)13-21(22)27-29-26(31-34(27)28(32)36)9-10-33-19(4)12-18(3)30-33/h7-8,11-14H,9-10,15H2,1-6H3

InChI Key

AMLURMHIZVUOKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.65

Polar Surface Area

82.579

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G861-0165 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 G861-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0165?
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What is the minimum amount of G861-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0165
  • 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 G861-0165 available by request