0947-0051 Screening compound: 1-(4-ethoxyphenyl)-5-[(Z)-1-(1H-indol-3-yl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

0947-0051 Screening compound: 1-(4-ethoxyphenyl)-5-[(Z)-1-(1H-indol-3-yl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione
0947-0051 Screening compound: 1-(4-ethoxyphenyl)-5-[(Z)-1-(1H-indol-3-yl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0947-0051
1-(4-ethoxyphenyl)-5-[(Z)-1-(1H-indol-3-yl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

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

0947-0051

Molecular Formula

C21H17N3O4 (C21 H17 N3 O4)

Compound Name

1-(4-ethoxyphenyl)-5-[(Z)-1-(1H-indol-3-yl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2c[nH]c3c2cccc3)=O)C1=O

InChI

InChI=1S/C21H17N3O4/c1-2-28-15-9-7-14(8-10-15)24-20(26)17(19(25)23-21(24)27)11-13-12-22-18-6-4-3-5-16(13)18/h3-12,22H,2H2,1H3,(H,23,25,27)

InChI Key

REVCJKXWFYDMKV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-3.27

Polar Surface Area

70.385

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 0947-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0947-0051?
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What is the minimum amount of 0947-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0947-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0947-0051
  • 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 0947-0051 available by request