4593-2888 Screening compound: 3-{[2-(3-methylphenyl)quinazolin-4-yl]amino}phenol

4593-2888 Screening compound: 3-{[2-(3-methylphenyl)quinazolin-4-yl]amino}phenol
4593-2888 Screening compound: 3-{[2-(3-methylphenyl)quinazolin-4-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2888
3-{[2-(3-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

4593-2888

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nc3ccccc3c(Nc3cccc(O)c3)n2)c1

InChI

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

InChI Key

PFVSCOOEHXKMTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959122

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

5.773

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.72

Polar Surface Area

45.422

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4593-2888 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Carbonic Anhydrase II Library (4939 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4593-2888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2888?
Check Price and Availability of 4593-2888, 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 4593-2888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2888
  • 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 4593-2888 available by request