7913-0074 Screening compound: 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one

7913-0074 Screening compound: 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one
7913-0074 Screening compound: 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0074
4-methyl-7-phenyl-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

7913-0074

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N(CC2)CCN2c2ccccc2)nc(CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C25H26N4O/c1-18-24-22(16-20(17-23(24)30)19-8-4-2-5-9-19)27-25(26-18)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,20H,12-17H2,1H3/t20-/m1/s1

InChI Key

YTYLHKIQCYKTDV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06612385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

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

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.10

Polar Surface Area

39.424

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

7913-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7913-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0074?
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What is the minimum amount of 7913-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0074
  • 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 7913-0074 available by request