J033-0163 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

J033-0163 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one
J033-0163 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0163
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

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

J033-0163

Molecular Formula

C20H19FN4O2S (C20 H19 FN4 O2 S)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

SMILES

Oc1nc(SCC(N(CC2)CCN2c(cccc2)c2F)=O)nc2ccccc12

InChI

InChI=1S/C20H19FN4O2S/c21-15-6-2-4-8-17(15)24-9-11-25(12-10-24)18(26)13-28-20-22-16-7-3-1-5-14(16)19(27)23-20/h1-8H,9-13H2,(H,22,23,27)

InChI Key

JEMBKQSZZOKYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.23

Polar Surface Area

53.287

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J033-0163 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J033-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0163?
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What is the minimum amount of J033-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0163
  • 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 J033-0163 available by request