E545-0269 Screening compound: 2-[3-butyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide

E545-0269 Screening compound: 2-[3-butyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide
E545-0269 Screening compound: 2-[3-butyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E545-0269
2-[3-butyl-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)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

E545-0269

Molecular Formula

C22H20ClN3O4 (C22 H20 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c(oc1c2cccc1)c2N1CC(Nc(cc2)ccc2Cl)=O)=O)C1=O

InChI

InChI=1S/C22H20ClN3O4/c1-2-3-12-25-21(28)20-19(16-6-4-5-7-17(16)30-20)26(22(25)29)13-18(27)24-15-10-8-14(23)9-11-15/h4-11H,2-3,12-13H2,1H3,(H,24,27)

InChI Key

IUWDXQNBRRUQDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.59

Polar Surface Area

63.971

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E545-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E545-0269?
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What is the minimum amount of E545-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E545-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E545-0269
  • 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 E545-0269 available by request