C487-0569 Screening compound: ethyl 2-{3-[(furan-2-yl)methyl]-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetate

C487-0569 Screening compound: ethyl 2-{3-[(furan-2-yl)methyl]-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetate
C487-0569 Screening compound: ethyl 2-{3-[(furan-2-yl)methyl]-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0569
ethyl 2-{3-[(furan-2-yl)methyl]-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetate

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

C487-0569

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

ethyl 2-{3-[(furan-2-yl)methyl]-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetate

IUPAC name

ethyl 2-{3-[(furan-2-yl)methyl]-24-dioxo-7-[(2-phenylethyl)carbamoyl]-1234-tetrahydroquinazolin-1-yl}acetate

SMILES

CCOC(CN(c(cc(cc1)C(NCCc2ccccc2)=O)c1C(N1Cc2ccco2)=O)C1=O)=O

InChI

InChI=1S/C26H25N3O6/c1-2-34-23(30)17-28-22-15-19(24(31)27-13-12-18-7-4-3-5-8-18)10-11-21(22)25(32)29(26(28)33)16-20-9-6-14-35-20/h3-11,14-15H,2,12-13,16-17H2,1H3,(H,27,31)

InChI Key

WGFQDDVXLDGILF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.874

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-3.55

Polar Surface Area

83.701

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C487-0569 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0569?
Check Price and Availability of C487-0569, 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 C487-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0569
  • 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 C487-0569 available by request