G768-0316 Screening compound: 2-(2-chlorophenyl)-7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0316 Screening compound: 2-(2-chlorophenyl)-7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0316 Screening compound: 2-(2-chlorophenyl)-7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0316
2-(2-chlorophenyl)-7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-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

G768-0316

Molecular Formula

C24H21ClFN5O3S (C24 H21 ClFN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cccc1)c1F)N1CCN(CC(N=C2SC(c(cccc3)c3Cl)=NN22)=CC2=O)CC1

InChI

InChI=1S/C24H21ClFN5O3S/c25-18-6-2-1-5-17(18)23-28-31-21(32)13-16(27-24(31)35-23)14-29-9-11-30(12-10-29)22(33)15-34-20-8-4-3-7-19(20)26/h1-8,13H,9-12,14-15H2

InChI Key

ATGNBFOEJIIAOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.98

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

2.583

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.61

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

25.00

G768-0316 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 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 G768-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0316?
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What is the minimum amount of G768-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0316
  • 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 G768-0316 available by request