8137-0131 Screening compound: 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one

8137-0131 Screening compound: 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one
8137-0131 Screening compound: 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0131
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-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

8137-0131

Molecular Formula

C24H23FN4O (C24 H23 FN4 O)

Compound Name

7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c(cc2)ccc2F)c2c1nc(N(CC1)CCN1c1ccccc1)nc2

InChI

InChI=1S/C24H23FN4O/c25-19-8-6-17(7-9-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-12-10-28(11-13-29)20-4-2-1-3-5-20/h1-9,16,18H,10-15H2/t18-/m0/s1

InChI Key

WCBLKPCEPNLHOX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05691905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.34

Polar Surface Area

39.369

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8137-0131 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8137-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0131?
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What is the minimum amount of 8137-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0131
  • 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 8137-0131 available by request