3232-0459 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

3232-0459 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
3232-0459 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-0459
2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

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

3232-0459

Molecular Formula

C21H14F3N3 (C21 H14 F3 N3)

Compound Name

2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

IUPAC name

2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

SMILES

FC(c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1)(F)F

InChI

InChI=1S/C21H14F3N3/c22-21(23,24)15-9-6-10-16(13-15)25-20-17-11-4-5-12-18(17)26-19(27-20)14-7-2-1-3-8-14/h1-13H,(H,25,26,27)

InChI Key

IUPGPZVLBBNEIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02069156

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

365.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.959

Distribution Coefficient, logD

6.900

Water Solubility, LogSw

-6.87

Polar Surface Area

27.805

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3232-0459 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • 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 3232-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-0459?
Check Price and Availability of 3232-0459, 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 3232-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-0459
  • 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 3232-0459 available by request