3089-0972 Screening compound: 4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

3089-0972 Screening compound: 4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid
3089-0972 Screening compound: 4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3089-0972
4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

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

3089-0972

Molecular Formula

C23H15N3O5 (C23 H15 N3 O5)

Compound Name

4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid

IUPAC name

4-{2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-34-dihydroquinazolin-3-yl}benzoic acid

SMILES

[O-][N+](c1cc(/C=C/C(N2c(cc3)ccc3C(O)=O)=Nc(cccc3)c3C2=O)ccc1)=O

InChI

InChI=1S/C23H15N3O5/c27-22-19-6-1-2-7-20(19)24-21(13-8-15-4-3-5-18(14-15)26(30)31)25(22)17-11-9-16(10-12-17)23(28)29/h1-14H,(H,28,29)

InChI Key

QSLPWAOQMDEDBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.852

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-4.06

Polar Surface Area

86.384

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3089-0972 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3089-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3089-0972?
Check Price and Availability of 3089-0972, 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 3089-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3089-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3089-0972
  • 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 3089-0972 available by request