4358-4586 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol

4358-4586 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
4358-4586 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4586
3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol

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

4358-4586

Molecular Formula

C20H14N4O3 (C20 H14 N4 O3)

Compound Name

3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol

IUPAC name

3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol

SMILES

[O-][N+](c(cc1)ccc1-c1nc2ccccc2c(Nc2cc(O)ccc2)n1)=O

InChI

InChI=1S/C20H14N4O3/c25-16-5-3-4-14(12-16)21-20-17-6-1-2-7-18(17)22-19(23-20)13-8-10-15(11-9-13)24(26)27/h1-12,25H,(H,21,22,23)

InChI Key

CWTDCUNNIJYHKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.81

Polar Surface Area

78.804

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4358-4586 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4358-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4586?
Check Price and Availability of 4358-4586, 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 4358-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4586
  • 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 4358-4586 available by request