8407-0219 Screening compound: 2-[(2,3-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8407-0219 Screening compound: 2-[(2,3-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8407-0219 Screening compound: 2-[(2,3-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8407-0219
2-[(2,3-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-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

8407-0219

Molecular Formula

C22H23N5O (C22 H23 N5 O)

Compound Name

2-[(2,3-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

IUPAC name

2-[(23-dimethylphenyl)amino]-8-methyl-4-(4-methylphenyl)-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

Cc1ccc(C(N23)N=C(Nc4c(C)c(C)ccc4)NC2=NC(C)=CC3=O)cc1

InChI

InChI=1S/C22H23N5O/c1-13-8-10-17(11-9-13)20-25-21(24-18-7-5-6-14(2)16(18)4)26-22-23-15(3)12-19(28)27(20)22/h5-12,20H,1-4H3,(H2,23,24,25,26)/t20-/m1/s1

InChI Key

OYCCOJMMSWXHFM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06596199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

1.005

Water Solubility, LogSw

-4.38

Polar Surface Area

56.773

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

8407-0219 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 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 8407-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8407-0219?
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What is the minimum amount of 8407-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8407-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8407-0219
  • 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 8407-0219 available by request