C190-0254 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C190-0254 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C190-0254 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0254
3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-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

C190-0254

Molecular Formula

C28H28N4O5 (C28 H28 N4 O5)

Compound Name

3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[(4-methoxyphenyl)methyl]-7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1234-tetrahydroquinazoline-24-dione

SMILES

COc1ccc(CN(C(c(ccc(C(N(CC2)CCN2c2cc(OC)ccc2)=O)c2)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C28H28N4O5/c1-36-22-9-6-19(7-10-22)18-32-27(34)24-11-8-20(16-25(24)29-28(32)35)26(33)31-14-12-30(13-15-31)21-4-3-5-23(17-21)37-2/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,35)

InChI Key

PMOXFEOPHSNRCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.98

Polar Surface Area

75.476

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C190-0254 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C190-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0254?
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What is the minimum amount of C190-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0254
  • 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 C190-0254 available by request