G768-0341 Screening compound: 2-(2-chlorophenyl)-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0341 Screening compound: 2-(2-chlorophenyl)-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0341 Screening compound: 2-(2-chlorophenyl)-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0341
2-(2-chlorophenyl)-7-{[4-(4-ethoxybenzoyl)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

G768-0341

Molecular Formula

C25H24ClN5O3S (C25 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(N1CCN(CC(N=C2SC(c(cccc3)c3Cl)=NN22)=CC2=O)CC1)=O

InChI

InChI=1S/C25H24ClN5O3S/c1-2-34-19-9-7-17(8-10-19)24(33)30-13-11-29(12-14-30)16-18-15-22(32)31-25(27-18)35-23(28-31)20-5-3-4-6-21(20)26/h3-10,15H,2,11-14,16H2,1H3

InChI Key

UHDUJXYNHZMHDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156573

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

3.093

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.74

Polar Surface Area

65.583

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G768-0341 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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 G768-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0341?
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What is the minimum amount of G768-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0341
  • 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 G768-0341 available by request