E545-0124 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide

E545-0124 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide
E545-0124 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E545-0124
N~1~-(3-chloro-4-fluorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]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

E545-0124

Molecular Formula

C23H15ClFN3O5 (C23 H15 ClFN3 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c1c(C(N2Cc3ccco3)=O)oc3c1cccc3)C2=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C23H15ClFN3O5/c24-16-10-13(7-8-17(16)25)26-19(29)12-27-20-15-5-1-2-6-18(15)33-21(20)22(30)28(23(27)31)11-14-4-3-9-32-14/h1-10H,11-12H2,(H,26,29)

InChI Key

QUHILYXVXUDZHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.84

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

4.889

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-5.09

Polar Surface Area

71.470

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E545-0124 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with E545-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0124?
Check Price and Availability of E545-0124, 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 E545-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0124
  • 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 E545-0124 available by request