C191-0147 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}-2,4(1H,3H)-quinazolinedione

C191-0147 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}-2,4(1H,3H)-quinazolinedione
C191-0147 Screening compound: 6,7-dimethoxy-3-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0147
6,7-dimethoxy-3-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}-2,4(1H,3H)-quinazolinedione

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

C191-0147

Molecular Formula

C23H27N5O5 (C23 H27 N5 O5)

Compound Name

6,7-dimethoxy-3-{4-oxo-4-[4-(2-pyridyl)piperazino]butyl}-2,4(1H,3H)-quinazolinedione

IUPAC name

67-dimethoxy-3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCC(N(CC3)CCN3c3ncccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C23H27N5O5/c1-32-18-14-16-17(15-19(18)33-2)25-23(31)28(22(16)30)9-5-7-21(29)27-12-10-26(11-13-27)20-6-3-4-8-24-20/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3,(H,25,31)

InChI Key

CZSLMFIGXXVSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-2.25

Polar Surface Area

83.884

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

C191-0147 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C191-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0147?
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What is the minimum amount of C191-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0147
  • 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 C191-0147 available by request