8137-0250 Screening compound: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8137-0250 Screening compound: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8137-0250 Screening compound: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0250
4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-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

8137-0250

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-13-12-18(27)26-19(14-4-8-16(28-2)9-5-14)24-20(25-21(26)22-13)23-15-6-10-17(29-3)11-7-15/h4-12,19H,1-3H3,(H2,22,23,24,25)/t19-/m1/s1

InChI Key

XLMMIMKRKDITRW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06754787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

3.152

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-3.53

Polar Surface Area

72.558

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8137-0250 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 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 8137-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0250?
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What is the minimum amount of 8137-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0250
  • 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 8137-0250 available by request