G861-0106 Screening compound: 2-(3,5-dimethoxyphenyl)-6-[2-(1H-indol-3-yl)-2-oxoethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0106 Screening compound: 2-(3,5-dimethoxyphenyl)-6-[2-(1H-indol-3-yl)-2-oxoethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0106 Screening compound: 2-(3,5-dimethoxyphenyl)-6-[2-(1H-indol-3-yl)-2-oxoethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0106
2-(3,5-dimethoxyphenyl)-6-[2-(1H-indol-3-yl)-2-oxoethyl]-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

G861-0106

Molecular Formula

C27H21N5O4 (C27 H21 N5 O4)

Compound Name

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

IUPAC name

2-(35-dimethoxyphenyl)-6-[2-(1H-indol-3-yl)-2-oxoethyl]-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

COc1cc(-c(nc2-c(cccc3)c3N3CC(c4c[nH]c5c4cccc5)=O)nn2C3=O)cc(OC)c1

InChI

InChI=1S/C27H21N5O4/c1-35-17-11-16(12-18(13-17)36-2)25-29-26-20-8-4-6-10-23(20)31(27(34)32(26)30-25)15-24(33)21-14-28-22-9-5-3-7-19(21)22/h3-14,28H,15H2,1-2H3

InChI Key

PYIVYNKKQQTBRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.33

Polar Surface Area

77.300

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G861-0106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G861-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0106?
Check Price and Availability of G861-0106, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G861-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0106
  • 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 G861-0106 available by request