G861-0101 Screening compound: 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0101 Screening compound: 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0101 Screening compound: 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0101
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3,5-dimethoxyphenyl)-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

G861-0101

Molecular Formula

C25H19ClN4O4 (C25 H19 ClN4 O4)

Compound Name

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

IUPAC name

6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(35-dimethoxyphenyl)-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

COc1cc(-c(nc2-c(cccc3)c3N3CC(c4cccc(Cl)c4)=O)nn2C3=O)cc(OC)c1

InChI

InChI=1S/C25H19ClN4O4/c1-33-18-11-16(12-19(13-18)34-2)23-27-24-20-8-3-4-9-21(20)29(25(32)30(24)28-23)14-22(31)15-6-5-7-17(26)10-15/h3-13H,14H2,1-2H3

InChI Key

WTRXAURZXCEIQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-5.16

Polar Surface Area

67.430

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G861-0101 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 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 G861-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0101?
Check Price and Availability of G861-0101, 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 G861-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0101
  • 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 G861-0101 available by request