3009-4230 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide

3009-4230 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide
3009-4230 Screening compound: N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4230
N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide

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

3009-4230

Molecular Formula

C22H15BrN4O4 (C22 H15 BrN4 O4)

Compound Name

N-[2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide

IUPAC name

N-[2-(4-bromophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-3-methyl-4-nitrobenzamide

SMILES

Cc(cc(cc1)C(NN(C(c(cc2)ccc2Br)=Nc2c3cccc2)C3=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C22H15BrN4O4/c1-13-12-15(8-11-19(13)27(30)31)21(28)25-26-20(14-6-9-16(23)10-7-14)24-18-5-3-2-4-17(18)22(26)29/h2-12H,1H3,(H,25,28)

InChI Key

ATEJGBHABVPZTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.09

Polar Surface Area

84.832

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3009-4230 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 3009-4230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4230?
Check Price and Availability of 3009-4230, 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 3009-4230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4230
  • 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 3009-4230 available by request