3379-0259 Screening compound: 2-benzyl-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one

3379-0259 Screening compound: 2-benzyl-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one
3379-0259 Screening compound: 2-benzyl-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0259
2-benzyl-3-(4-nitrophenyl)-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

3379-0259

Molecular Formula

C21H15N3O3 (C21 H15 N3 O3)

Compound Name

2-benzyl-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-benzyl-3-(4-nitrophenyl)-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c(cc1)ccc1N(C(Cc1ccccc1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C21H15N3O3/c25-21-18-8-4-5-9-19(18)22-20(14-15-6-2-1-3-7-15)23(21)16-10-12-17(13-11-16)24(26)27/h1-13H,14H2

InChI Key

HMJWASBVKJOAMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.94

Polar Surface Area

57.976

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3379-0259 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3379-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0259?
Check Price and Availability of 3379-0259, 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 3379-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0259
  • 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 3379-0259 available by request