G768-0349 Screening compound: 7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0349 Screening compound: 7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0349 Screening compound: 7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0349
7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

G768-0349

Molecular Formula

C22H20ClN5O3S2 (C22 H20 ClN5 O3 S2)

Compound Name

7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2-(2-chlorophenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C1N2N=C(c(cccc3)c3Cl)SC2=NC(CN(CC2)CCN2S(c2ccccc2)(=O)=O)=C1

InChI

InChI=1S/C22H20ClN5O3S2/c23-19-9-5-4-8-18(19)21-25-28-20(29)14-16(24-22(28)32-21)15-26-10-12-27(13-11-26)33(30,31)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2

InChI Key

VWQUHJVKFNDRCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.83

Polar Surface Area

73.522

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G768-0349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G768-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0349?
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What is the minimum amount of G768-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0349
  • 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 G768-0349 available by request