4358-4592 Screening compound: N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine

4358-4592 Screening compound: N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
4358-4592 Screening compound: N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4592
N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine

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

4358-4592

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine

IUPAC name

N-(2-ethoxyphenyl)-2-(4-nitrophenyl)quinazolin-4-amine

SMILES

CCOc(cccc1)c1Nc1nc(-c(cc2)ccc2[N+]([O-])=O)nc2ccccc12

InChI

InChI=1S/C22H18N4O3/c1-2-29-20-10-6-5-9-19(20)24-22-17-7-3-4-8-18(17)23-21(25-22)15-11-13-16(14-12-15)26(27)28/h3-14H,2H2,1H3,(H,23,24,25)

InChI Key

IVWJQJWJBGLXCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.438

Distribution Coefficient, logD

6.379

Water Solubility, LogSw

-6.23

Polar Surface Area

67.699

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4358-4592 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4358-4592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4592?
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What is the minimum amount of 4358-4592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4592
  • 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 4358-4592 available by request