C487-0189 Screening compound: 3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

C487-0189 Screening compound: 3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
C487-0189 Screening compound: 3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0189
3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

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

C487-0189

Molecular Formula

C33H30N4O5 (C33 H30 N4 O5)

Compound Name

3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

IUPAC name

n/a

SMILES

Cc1ccc(CNC(c(cc2)cc(N(CC(Nc3ccc(C)cc3)=O)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C33H30N4O5/c1-21-4-8-23(9-5-21)19-34-31(39)24-10-17-28-29(18-24)36(20-30(38)35-25-11-6-22(2)7-12-25)33(41)37(32(28)40)26-13-15-27(42-3)16-14-26/h4-18H,19-20H2,1-3H3,(H,34,39)(H,35,38)

InChI Key

VCPHBLLYAYVYAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.39

Polar Surface Area

85.762

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.15

C487-0189 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C487-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0189?
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What is the minimum amount of C487-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0189
  • 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 C487-0189 available by request