G861-0079 Screening compound: 6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0079 Screening compound: 6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0079 Screening compound: 6-[2-(2,4-dimethylphenyl)-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 G861-0079
6-[2-(2,4-dimethylphenyl)-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

G861-0079

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

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

IUPAC name

6-[2-(24-dimethylphenyl)-2-oxoethyl]-2-(4-methoxyphenyl)-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

Cc(cc1)cc(C)c1C(CN(c(cccc1)c1-c1nc(-c(cc2)ccc2OC)nn11)C1=O)=O

InChI

InChI=1S/C26H22N4O3/c1-16-8-13-20(17(2)14-16)23(31)15-29-22-7-5-4-6-21(22)25-27-24(28-30(25)26(29)32)18-9-11-19(33-3)12-10-18/h4-14H,15H2,1-3H3

InChI Key

ZMERLCWJPWFXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-5.02

Polar Surface Area

59.886

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G861-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 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 G861-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0079?
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What is the minimum amount of G861-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0079
  • 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 G861-0079 available by request