G768-0954 Screening compound: 7-({4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0954 Screening compound: 7-({4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0954 Screening compound: 7-({4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0954
7-({4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methoxyphenyl)-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

G768-0954

Molecular Formula

C26H27N5O5S (C26 H27 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(SC1=NC(CN(CC2)CCN2C(COc(cc2)ccc2OC)=O)=C2)=NN1C2=O

InChI

InChI=1S/C26H27N5O5S/c1-34-20-5-3-18(4-6-20)25-28-31-23(32)15-19(27-26(31)37-25)16-29-11-13-30(14-12-29)24(33)17-36-22-9-7-21(35-2)8-10-22/h3-10,15H,11-14,16-17H2,1-2H3

InChI Key

LZEYLYHDGWTYJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.49

Polar Surface Area

80.519

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G768-0954 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G768-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0954?
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What is the minimum amount of G768-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0954
  • 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 G768-0954 available by request