C487-0044 Screening compound: 1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0044 Screening compound: 1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0044 Screening compound: 1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0044
1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C487-0044

Molecular Formula

C31H28N4O6 (C31 H28 N4 O6)

Compound Name

1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

1-{[(4-ethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCOc(cc1)ccc1NC(CN(c(cc(cc1)C(NCc2ccco2)=O)c1C(N1c2ccc(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C31H28N4O6/c1-3-40-24-13-9-22(10-14-24)33-28(36)19-34-27-17-21(29(37)32-18-25-5-4-16-41-25)8-15-26(27)30(38)35(31(34)39)23-11-6-20(2)7-12-23/h4-17H,3,18-19H2,1-2H3,(H,32,37)(H,33,36)

InChI Key

CYYFAQPQRDIMJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.24

Polar Surface Area

93.090

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

C487-0044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C487-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0044?
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What is the minimum amount of C487-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0044
  • 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 C487-0044 available by request