C190-0344 Screening compound: 7-{[4-(3-methoxyphenyl)piperazino]carbonyl}-3-phenethyl-2,4(1H,3H)-quinazolinedione

C190-0344 Screening compound: 7-{[4-(3-methoxyphenyl)piperazino]carbonyl}-3-phenethyl-2,4(1H,3H)-quinazolinedione
C190-0344 Screening compound: 7-{[4-(3-methoxyphenyl)piperazino]carbonyl}-3-phenethyl-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0344
7-{[4-(3-methoxyphenyl)piperazino]carbonyl}-3-phenethyl-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

C190-0344

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

7-{[4-(3-methoxyphenyl)piperazino]carbonyl}-3-phenethyl-2,4(1H,3H)-quinazolinedione

IUPAC name

7-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-(2-phenylethyl)-1234-tetrahydroquinazoline-24-dione

SMILES

COc1cccc(N(CC2)CCN2C(c(cc2)cc(NC(N3CCc4ccccc4)=O)c2C3=O)=O)c1

InChI

InChI=1S/C28H28N4O4/c1-36-23-9-5-8-22(19-23)30-14-16-31(17-15-30)26(33)21-10-11-24-25(18-21)29-28(35)32(27(24)34)13-12-20-6-3-2-4-7-20/h2-11,18-19H,12-17H2,1H3,(H,29,35)

InChI Key

BNBNGYZDJKREQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.03

Polar Surface Area

67.911

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C190-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C190-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0344?
Check Price and Availability of C190-0344, 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 C190-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0344
  • 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 C190-0344 available by request