4358-4606 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid

4358-4606 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid
4358-4606 Screening compound: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4606
3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}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

4358-4606

Molecular Formula

C21H14N4O4 (C21 H14 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H14N4O4/c26-21(27)14-4-3-5-15(12-14)22-20-17-6-1-2-7-18(17)23-19(24-20)13-8-10-16(11-9-13)25(28)29/h1-12H,(H,26,27)(H,22,23,24)

InChI Key

XABCJWMRBGTYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-6.02

Polar Surface Area

89.595

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4358-4606 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4358-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4606?
Check Price and Availability of 4358-4606, 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 4358-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4606
  • 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 4358-4606 available by request