4593-2618 Screening compound: 4-{[2-(4-methylphenyl)quinazolin-4-yl]amino}phenol

4593-2618 Screening compound: 4-{[2-(4-methylphenyl)quinazolin-4-yl]amino}phenol
4593-2618 Screening compound: 4-{[2-(4-methylphenyl)quinazolin-4-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2618
4-{[2-(4-methylphenyl)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

4593-2618

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc2ccccc2c(Nc(cc2)ccc2O)n1

InChI

InChI=1S/C21H17N3O/c1-14-6-8-15(9-7-14)20-23-19-5-3-2-4-18(19)21(24-20)22-16-10-12-17(25)13-11-16/h2-13,25H,1H3,(H,22,23,24)

InChI Key

VIYGZDDBHHYBES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02958836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.80

Polar Surface Area

45.422

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4593-2618 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4593-2618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2618?
Check Price and Availability of 4593-2618, 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 4593-2618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2618
  • 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 4593-2618 available by request