E545-0692 Screening compound: N~1~-(5-chloro-2-methylphenyl)-2-[3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide

E545-0692 Screening compound: N~1~-(5-chloro-2-methylphenyl)-2-[3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide
E545-0692 Screening compound: N~1~-(5-chloro-2-methylphenyl)-2-[3-(4-methoxybenzyl)-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 E545-0692
N~1~-(5-chloro-2-methylphenyl)-2-[3-(4-methoxybenzyl)-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

E545-0692

Molecular Formula

C27H22ClN3O5 (C27 H22 ClN3 O5)

Compound Name

N~1~-(5-chloro-2-methylphenyl)-2-[3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1NC(CN(c1c(C(N2Cc(cc3)ccc3OC)=O)oc3c1cccc3)C2=O)=O

InChI

InChI=1S/C27H22ClN3O5/c1-16-7-10-18(28)13-21(16)29-23(32)15-30-24-20-5-3-4-6-22(20)36-25(24)26(33)31(27(30)34)14-17-8-11-19(35-2)12-9-17/h3-13H,14-15H2,1-2H3,(H,29,32)

InChI Key

ZHCCJPHHLHWYGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.90

Polar Surface Area

70.567

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E545-0692 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E545-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0692?
Check Price and Availability of E545-0692, 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 E545-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0692
  • 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 E545-0692 available by request