E545-0053 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide

E545-0053 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide
E545-0053 Screening compound: 2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E545-0053
2-[3-benzyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(2-methylphenyl)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

E545-0053

Molecular Formula

C26H21N3O4 (C26 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN(c1c(C(N2Cc3ccccc3)=O)oc3c1cccc3)C2=O)=O

InChI

InChI=1S/C26H21N3O4/c1-17-9-5-7-13-20(17)27-22(30)16-28-23-19-12-6-8-14-21(19)33-24(23)25(31)29(26(28)32)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,27,30)

InChI Key

VRBXLGFPFRCBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.49

Polar Surface Area

63.023

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E545-0053 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Immunological Library (6760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E545-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0053?
Check Price and Availability of E545-0053, 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 E545-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0053
  • 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 E545-0053 available by request