E545-0555 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

E545-0555 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide
E545-0555 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E545-0555
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

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

E545-0555

Molecular Formula

C25H18ClN3O5 (C25 H18 ClN3 O5)

Compound Name

2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

IUPAC name

2-[5-(4-chlorophenyl)-46-dioxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN(c2c(C(N3c(cc4)ccc4Cl)=O)oc4c2cccc4)C3=O)=O)c1

InChI

InChI=1S/C25H18ClN3O5/c1-33-18-6-4-5-16(13-18)27-21(30)14-28-22-19-7-2-3-8-20(19)34-23(22)24(31)29(25(28)32)17-11-9-15(26)10-12-17/h2-13H,14H2,1H3,(H,27,30)

InChI Key

JXUVZWAZFJTFPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-4.91

Polar Surface Area

70.653

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

E545-0555 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E545-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0555?
Check Price and Availability of E545-0555, 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 E545-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0555
  • 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 E545-0555 available by request