8407-0224 Screening compound: 4-(3-chlorophenyl)-2-[(2,3-dimethylphenyl)amino]-8-methyl-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one

8407-0224 Screening compound: 4-(3-chlorophenyl)-2-[(2,3-dimethylphenyl)amino]-8-methyl-1H,4H,6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8407-0224 Screening compound: 4-(3-chlorophenyl)-2-[(2,3-dimethylphenyl)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 8407-0224
4-(3-chlorophenyl)-2-[(2,3-dimethylphenyl)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

8407-0224

Molecular Formula

C21H20ClN5O (C21 H20 ClN5 O)

Compound Name

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

IUPAC name

4-(3-chlorophenyl)-2-[(23-dimethylphenyl)amino]-8-methyl-1H4H6H-pyrimido[12-a][135]triazin-6-one

SMILES

Cc1cccc(NC(N2)=NC(c3cccc(Cl)c3)N3C2=NC(C)=CC3=O)c1C

InChI

InChI=1S/C21H20ClN5O/c1-12-6-4-9-17(14(12)3)24-20-25-19(15-7-5-8-16(22)11-15)27-18(28)10-13(2)23-21(27)26-20/h4-11,19H,1-3H3,(H2,23,24,25,26)/t19-/m1/s1

InChI Key

YXGKKXFGRQDMNQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06597561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.88

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

4.625

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-4.67

Polar Surface Area

56.773

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8407-0224 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8407-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8407-0224?
Check Price and Availability of 8407-0224, 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 8407-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8407-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8407-0224
  • 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 8407-0224 available by request