G768-0153 Screening compound: 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0153 Screening compound: 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0153 Screening compound: 7-{[4-(2-bromobenzoyl)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 G768-0153
7-{[4-(2-bromobenzoyl)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

G768-0153

Molecular Formula

C24H22BrN5O2S (C24 H22 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(SC2=NC(CN(CC3)CCN3C(c(cccc3)c3Br)=O)=C3)=NN2C3=O)c1

InChI

InChI=1S/C24H22BrN5O2S/c1-16-5-4-6-17(13-16)22-27-30-21(31)14-18(26-24(30)33-22)15-28-9-11-29(12-10-28)23(32)19-7-2-3-8-20(19)25/h2-8,13-14H,9-12,15H2,1H3

InChI Key

RHJWNKFSPIGTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.38

Polar Surface Area

58.459

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G768-0153 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G768-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0153?
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What is the minimum amount of G768-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0153
  • 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 G768-0153 available by request