4072-3221 Screening compound: 2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-3,4-dihydroquinazolin-4-one

4072-3221 Screening compound: 2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-3,4-dihydroquinazolin-4-one
4072-3221 Screening compound: 2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-3221
2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-3,4-dihydroquinazolin-4-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

4072-3221

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(4-methylphenyl)-3-(4-methylpyridin-2-yl)-34-dihydroquinazolin-4-one

SMILES

Cc(cc1)ccc1C(N1c2nccc(C)c2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C21H17N3O/c1-14-7-9-16(10-8-14)20-23-18-6-4-3-5-17(18)21(25)24(20)19-13-15(2)11-12-22-19/h3-13H,1-2H3

InChI Key

ICHWMYZYOBOOGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-3.97

Polar Surface Area

33.250

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4072-3221 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4072-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-3221?
Check Price and Availability of 4072-3221, 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 4072-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-3221
  • 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 4072-3221 available by request