C692-0543 Screening compound: ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

C692-0543 Screening compound: ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
C692-0543 Screening compound: ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0543
ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

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

C692-0543

Molecular Formula

C21H25ClN6O4 (C21 H25 ClN6 O4)

Compound Name

ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

IUPAC name

ethyl 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetate

SMILES

CCOC(Cn1c(C(NC(N2C)=O)=O)c2nc1CN(CC1)CCN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C21H25ClN6O4/c1-3-32-17(29)13-28-16(23-19-18(28)20(30)24-21(31)25(19)2)12-26-7-9-27(10-8-26)15-6-4-5-14(22)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,24,30,31)

InChI Key

RVOXBPUAROLNIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05714026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-3.23

Polar Surface Area

80.018

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C692-0543 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C692-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0543?
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What is the minimum amount of C692-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0543
  • 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 C692-0543 available by request