3379-0124 Screening compound: 2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one

3379-0124 Screening compound: 2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one
3379-0124 Screening compound: 2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0124
2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-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

3379-0124

Molecular Formula

C22H14BrN3O4 (C22 H14 BrN3 O4)

Compound Name

2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(4-nitrophenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(4-nitrophenyl)-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c(cc1)ccc1N(C(/C=C/c(cc(cc1)Br)c1O)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C22H14BrN3O4/c23-15-6-11-20(27)14(13-15)5-12-21-24-19-4-2-1-3-18(19)22(28)25(21)16-7-9-17(10-8-16)26(29)30/h1-13,27H

InChI Key

XBEISTIIFNDFMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.22

Polar Surface Area

74.524

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3379-0124 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 3379-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0124?
Check Price and Availability of 3379-0124, 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 3379-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0124
  • 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 3379-0124 available by request