G861-0113 Screening compound: 2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0113 Screening compound: 2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0113 Screening compound: 2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0113
2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-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

G861-0113

Molecular Formula

C22H14F2N4O (C22 H14 F2 N4 O)

Compound Name

2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

2-(3-fluorophenyl)-6-[(3-fluorophenyl)methyl]-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

O=C1N(Cc2cc(F)ccc2)c(cccc2)c2-c2nc(-c3cccc(F)c3)nn12

InChI

InChI=1S/C22H14F2N4O/c23-16-7-3-5-14(11-16)13-27-19-10-2-1-9-18(19)21-25-20(26-28(21)22(27)29)15-6-4-8-17(24)12-15/h1-12H,13H2

InChI Key

IZZLWXDVQADRHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-5.24

Polar Surface Area

39.095

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

G861-0113 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G861-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0113?
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What is the minimum amount of G861-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0113
  • 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 G861-0113 available by request