7913-0064 Screening compound: 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one

7913-0064 Screening compound: 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one
7913-0064 Screening compound: 2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0064
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

7913-0064

Molecular Formula

C18H20N4O (C18 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)c2c1nc(N(CC1)CCN1c1ccccc1)nc2

InChI

InChI=1S/C18H20N4O/c23-17-8-4-7-16-15(17)13-19-18(20-16)22-11-9-21(10-12-22)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2

InChI Key

ULQJNNBTONKOMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.30

Polar Surface Area

39.640

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

7913-0064 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7913-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0064?
Check Price and Availability of 7913-0064, 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 7913-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0064
  • 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 7913-0064 available by request