3454-2819 Screening compound: N-(2,5-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine

3454-2819 Screening compound: N-(2,5-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine
3454-2819 Screening compound: N-(2,5-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-2819
N-(2,5-dimethylphenyl)-2-(pyridin-4-yl)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

3454-2819

Molecular Formula

C21H18N4 (C21 H18 N4)

Compound Name

N-(2,5-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine

IUPAC name

N-(25-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine

SMILES

Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)c(C)cc1

InChI

InChI=1S/C21H18N4/c1-14-7-8-15(2)19(13-14)24-21-17-5-3-4-6-18(17)23-20(25-21)16-9-11-22-12-10-16/h3-13H,1-2H3,(H,23,24,25)

InChI Key

HZLCLAGHLCKFLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.37

Polar Surface Area

36.536

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3454-2819 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous 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 3454-2819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-2819?
Check Price and Availability of 3454-2819, 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 3454-2819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-2819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-2819
  • 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 3454-2819 available by request