G861-0003 Screening compound: 6-[(3-fluorophenyl)methyl]-2-propyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0003 Screening compound: 6-[(3-fluorophenyl)methyl]-2-propyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0003 Screening compound: 6-[(3-fluorophenyl)methyl]-2-propyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0003
6-[(3-fluorophenyl)methyl]-2-propyl-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

G861-0003

Molecular Formula

C19H17FN4O (C19 H17 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCc(nc1-c(cccc2)c2N2Cc3cccc(F)c3)nn1C2=O

InChI

InChI=1S/C19H17FN4O/c1-2-6-17-21-18-15-9-3-4-10-16(15)23(19(25)24(18)22-17)12-13-7-5-8-14(20)11-13/h3-5,7-11H,2,6,12H2,1H3

InChI Key

NIRQSIYMHARLMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.36

Polar Surface Area

40.357

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G861-0003 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G861-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0003?
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What is the minimum amount of G861-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0003
  • 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 G861-0003 available by request