5225-4724 Screening compound: 9-(4-methoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

5225-4724 Screening compound: 9-(4-methoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
5225-4724 Screening compound: 9-(4-methoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-4724
9-(4-methoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

5225-4724

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

9-(4-methoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(4-methoxyphenyl)-66-dimethyl-2-(3-methylphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(-c3cc(C)ccc3)nn2C2c(cc3)ccc3OC)=C2C1=O

InChI

InChI=1S/C25H26N4O2/c1-15-6-5-7-17(12-15)23-27-24-26-19-13-25(2,3)14-20(30)21(19)22(29(24)28-23)16-8-10-18(31-4)11-9-16/h5-12,22H,13-14H2,1-4H3,(H,26,27,28)/t22-/m0/s1

InChI Key

WNYZUVJVRKSEMY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14710413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.11

Polar Surface Area

57.888

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

5225-4724 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

SmartTM Library (51161 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5225-4724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-4724?
Check Price and Availability of 5225-4724, 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 5225-4724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-4724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-4724
  • 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 5225-4724 available by request