E545-0202 Screening compound: 2-[3-isopropyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

E545-0202 Screening compound: 2-[3-isopropyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide
E545-0202 Screening compound: 2-[3-isopropyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E545-0202
2-[3-isopropyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

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

E545-0202

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

2-[3-isopropyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

IUPAC name

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

SMILES

CC(C)N(C(c(oc1c2cccc1)c2N1CC(Nc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C21H19N3O4/c1-13(2)24-20(26)19-18(15-10-6-7-11-16(15)28-19)23(21(24)27)12-17(25)22-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,25)

InChI Key

ZNDBDQDZXIYPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.06

Polar Surface Area

63.713

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with E545-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0202?
Check Price and Availability of E545-0202, 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 E545-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0202
  • 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 E545-0202 available by request