G768-0176 Screening compound: 7-({4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0176 Screening compound: 7-({4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0176 Screening compound: 7-({4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0176
7-({4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-methylphenyl)-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

G768-0176

Molecular Formula

C25H24ClN5O3S (C25 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

7-({4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-methylphenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

Cc1cccc(C(SC2=NC(CN(CC3)CCN3C(COc(cccc3)c3Cl)=O)=C3)=NN2C3=O)c1

InChI

InChI=1S/C25H24ClN5O3S/c1-17-5-4-6-18(13-17)24-28-31-22(32)14-19(27-25(31)35-24)15-29-9-11-30(12-10-29)23(33)16-34-21-8-3-2-7-20(21)26/h2-8,13-14H,9-12,15-16H2,1H3

InChI Key

YCLMYFQAZFOTIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.48

Polar Surface Area

65.518

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G768-0176 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G768-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0176?
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What is the minimum amount of G768-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0176
  • 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 G768-0176 available by request