C487-0565 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0565 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0565 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0565
N-cyclopentyl-3-[(furan-2-yl)methyl]-1-[2-(4-methoxyphenyl)-2-oxoethyl]-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

C487-0565

Molecular Formula

C28H27N3O6 (C28 H27 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CN(c(cc(cc1)C(NC2CCCC2)=O)c1C(N1Cc2ccco2)=O)C1=O)=O

InChI

InChI=1S/C28H27N3O6/c1-36-21-11-8-18(9-12-21)25(32)17-30-24-15-19(26(33)29-20-5-2-3-6-20)10-13-23(24)27(34)31(28(30)35)16-22-7-4-14-37-22/h4,7-15,20H,2-3,5-6,16-17H2,1H3,(H,29,33)

InChI Key

LKHLFXRTXAXYQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.11

Polar Surface Area

84.311

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C487-0565 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C487-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0565?
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What is the minimum amount of C487-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0565
  • 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 C487-0565 available by request