C487-0563 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0563 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0563 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0563
N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-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

C487-0563

Molecular Formula

C28H28N4O6 (C28 H28 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CN(c(cc(cc1)C(NC2CCCC2)=O)c1C(N1Cc2ccco2)=O)C1=O)=O

InChI

InChI=1S/C28H28N4O6/c1-37-21-11-9-20(10-12-21)29-25(33)17-31-24-15-18(26(34)30-19-5-2-3-6-19)8-13-23(24)27(35)32(28(31)36)16-22-7-4-14-38-22/h4,7-15,19H,2-3,5-6,16-17H2,1H3,(H,29,33)(H,30,34)

InChI Key

NEGNNSNGGAFIQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.08

Polar Surface Area

94.213

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C487-0563 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C487-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0563?
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What is the minimum amount of C487-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0563
  • 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 C487-0563 available by request