4593-2911 Screening compound: 4-{[2-(3-methylphenyl)quinazolin-4-yl]amino}benzoic acid

4593-2911 Screening compound: 4-{[2-(3-methylphenyl)quinazolin-4-yl]amino}benzoic acid
4593-2911 Screening compound: 4-{[2-(3-methylphenyl)quinazolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2911
4-{[2-(3-methylphenyl)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

4593-2911

Molecular Formula

C22H17N3O2 (C22 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nc3ccccc3c(Nc(cc3)ccc3C(O)=O)n2)c1

InChI

InChI=1S/C22H17N3O2/c1-14-5-4-6-16(13-14)20-24-19-8-3-2-7-18(19)21(25-20)23-17-11-9-15(10-12-17)22(26)27/h2-13H,1H3,(H,26,27)(H,23,24,25)

InChI Key

GRHVGELKFLMPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.238

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-5.52

Polar Surface Area

56.213

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4593-2911 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 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:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4593-2911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2911?
Check Price and Availability of 4593-2911, 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 4593-2911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2911
  • 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 4593-2911 available by request