7808-0280 Screening compound: 4-(3-methoxyphenyl)-8-methyl-2-[(4-methylphenyl)amino]-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

7808-0280 Screening compound: 4-(3-methoxyphenyl)-8-methyl-2-[(4-methylphenyl)amino]-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
7808-0280 Screening compound: 4-(3-methoxyphenyl)-8-methyl-2-[(4-methylphenyl)amino]-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7808-0280
4-(3-methoxyphenyl)-8-methyl-2-[(4-methylphenyl)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

7808-0280

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(N1)=NC(c2cc(OC)ccc2)N2C1=NC(C)=CC2=O

InChI

InChI=1S/C21H21N5O2/c1-13-7-9-16(10-8-13)23-20-24-19(15-5-4-6-17(12-15)28-3)26-18(27)11-14(2)22-21(26)25-20/h4-12,19H,1-3H3,(H2,22,23,24,25)/t19-/m1/s1

InChI Key

XDNISWQEQUNLHZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06601717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-3.71

Polar Surface Area

65.014

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

7808-0280 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 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 7808-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7808-0280?
Check Price and Availability of 7808-0280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7808-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7808-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7808-0280
  • 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 7808-0280 available by request