7808-0293 Screening compound: 4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

7808-0293 Screening compound: 4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
7808-0293 Screening compound: 4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7808-0293
4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-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

7808-0293

Molecular Formula

C20H15F4N5O (C20 H15 F4 N5 O)

Compound Name

4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

IUPAC name

4-(4-fluorophenyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

CC(N=C1N2C(c(cc3)ccc3F)N=C(Nc3cc(C(F)(F)F)ccc3)N1)=CC2=O

InChI

InChI=1S/C20H15F4N5O/c1-11-9-16(30)29-17(12-5-7-14(21)8-6-12)27-18(28-19(29)25-11)26-15-4-2-3-13(10-15)20(22,23)24/h2-10,17H,1H3,(H2,25,26,27,28)/t17-/m1/s1

InChI Key

BFRJAOHIJQYMJP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06607966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-4.49

Polar Surface Area

57.471

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

7808-0293 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7808-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7808-0293?
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What is the minimum amount of 7808-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7808-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7808-0293
  • 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 7808-0293 available by request