8211-0334 Screening compound: 2-[(4-methoxyphenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8211-0334 Screening compound: 2-[(4-methoxyphenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8211-0334 Screening compound: 2-[(4-methoxyphenyl)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 8211-0334
2-[(4-methoxyphenyl)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

8211-0334

Molecular Formula

C19H18N6O2 (C19 H18 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C1N2C(c3cnccc3)N=C(Nc(cc3)ccc3OC)N1)=CC2=O

InChI

InChI=1S/C19H18N6O2/c1-12-10-16(26)25-17(13-4-3-9-20-11-13)23-18(24-19(25)21-12)22-14-5-7-15(27-2)8-6-14/h3-11,17H,1-2H3,(H2,21,22,23,24)/t17-/m1/s1

InChI Key

JSNWYMXOFAGDRW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06755292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.975

Distribution Coefficient, logD

-0.913

Water Solubility, LogSw

-1.92

Polar Surface Area

74.532

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8211-0334 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8211-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8211-0334?
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What is the minimum amount of 8211-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8211-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8211-0334
  • 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 8211-0334 available by request