C191-0329 Screening compound: 6,7-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

C191-0329 Screening compound: 6,7-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
C191-0329 Screening compound: 6,7-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0329
6,7-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C191-0329

Molecular Formula

C25H31N5O5 (C25 H31 N5 O5)

Compound Name

6,7-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-dimethoxy-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC(N(CC3)CCN3c3ncccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C25H31N5O5/c1-34-20-16-18-19(17-21(20)35-2)27-25(33)30(24(18)32)11-7-3-4-9-23(31)29-14-12-28(13-15-29)22-8-5-6-10-26-22/h5-6,8,10,16-17H,3-4,7,9,11-15H2,1-2H3,(H,27,33)

InChI Key

POIOCHDBZYDETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.581

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-3.25

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

44.00

C191-0329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C191-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0329?
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What is the minimum amount of C191-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0329
  • 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 C191-0329 available by request