7682-0077 Screening compound: ethyl 2-(4-ethylpiperazino)-6-(2-furyl)-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate

7682-0077 Screening compound: ethyl 2-(4-ethylpiperazino)-6-(2-furyl)-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate
7682-0077 Screening compound: ethyl 2-(4-ethylpiperazino)-6-(2-furyl)-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0077
ethyl 2-(4-ethylpiperazino)-6-(2-furyl)-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate

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

7682-0077

Molecular Formula

C17H24N4O4 (C17 H24 N4 O4)

Compound Name

ethyl 2-(4-ethylpiperazino)-6-(2-furyl)-4-oxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 2-(4-ethylpiperazin-1-yl)-6-(furan-2-yl)-4-oxo-1456-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(CC1)CCN1C(NC(C1C(OCC)=O)c2ccco2)=NC1=O

InChI

InChI=1S/C17H24N4O4/c1-3-20-7-9-21(10-8-20)17-18-14(12-6-5-11-25-12)13(15(22)19-17)16(23)24-4-2/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,19,22)

InChI Key

LVURILACPAOGPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

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

0.684

Distribution Coefficient, logD

0.684

Water Solubility, LogSw

-1.70

Polar Surface Area

71.538

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

7682-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7682-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0077?
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What is the minimum amount of 7682-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0077
  • 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 7682-0077 available by request