8525-0815 Screening compound: 2-[(4-ethoxyphenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8525-0815 Screening compound: 2-[(4-ethoxyphenyl)amino]-8-methyl-4-(pyridin-3-yl)-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8525-0815 Screening compound: 2-[(4-ethoxyphenyl)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 8525-0815
2-[(4-ethoxyphenyl)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

8525-0815

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(N1)=NC(c2cnccc2)N2C1=NC(C)=CC2=O

InChI

InChI=1S/C20H20N6O2/c1-3-28-16-8-6-15(7-9-16)23-19-24-18(14-5-4-10-21-12-14)26-17(27)11-13(2)22-20(26)25-19/h4-12,18H,3H2,1-2H3,(H2,22,23,24,25)/t18-/m1/s1

InChI Key

BVRGXTDIVRHUMR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD08076209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

-0.527

Water Solubility, LogSw

-2.25

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8525-0815 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)

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 8525-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0815?
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What is the minimum amount of 8525-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0815
  • 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 8525-0815 available by request