F019-5086 Screening compound: 7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

F019-5086 Screening compound: 7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
F019-5086 Screening compound: 7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-5086
7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-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

F019-5086

Molecular Formula

C20H19FN6O (C20 H19 FN6 O)

Compound Name

7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

IUPAC name

7-ethyl-2-[(4-fluorophenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

CCC1=C(C)N=C(NC(Nc(cc2)ccc2F)=NC2c3cnccc3)N2C1=O

InChI

InChI=1S/C20H19FN6O/c1-3-16-12(2)23-20-26-19(24-15-8-6-14(21)7-9-15)25-17(27(20)18(16)28)13-5-4-10-22-11-13/h4-11,17H,3H2,1-2H3,(H2,23,24,25,26)/t17-/m1/s1

InChI Key

KZNFCOLBJMJJNO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08131617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

-0.528

Water Solubility, LogSw

-2.67

Polar Surface Area

66.507

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

F019-5086 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F019-5086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-5086?
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What is the minimum amount of F019-5086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-5086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-5086
  • 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 F019-5086 available by request