C487-0550 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0550 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0550 Screening compound: N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0550
N-cyclopentyl-3-[(furan-2-yl)methyl]-1-{[(2-methylphenyl)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

C487-0550

Molecular Formula

C28H28N4O5 (C28 H28 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN(c(cc(cc1)C(NC2CCCC2)=O)c1C(N1Cc2ccco2)=O)C1=O)=O

InChI

InChI=1S/C28H28N4O5/c1-18-7-2-5-11-23(18)30-25(33)17-31-24-15-19(26(34)29-20-8-3-4-9-20)12-13-22(24)27(35)32(28(31)36)16-21-10-6-14-37-21/h2,5-7,10-15,20H,3-4,8-9,16-17H2,1H3,(H,29,34)(H,30,33)

InChI Key

OPXNLKIVWWLSNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.92

Polar Surface Area

85.972

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C487-0550 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0550?
Check Price and Availability of C487-0550, 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 C487-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0550
  • 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 C487-0550 available by request