G768-1616 Screening compound: N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide

G768-1616 Screening compound: N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
G768-1616 Screening compound: N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-1616
N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide

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

G768-1616

Molecular Formula

C25H25ClN6O3S (C25 H25 ClN6 O3 S)

Compound Name

N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-{[2-(4-methoxyphenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide

SMILES

Cc(ccc(NC(N1CCN(CC(N=C2SC(c(cc3)ccc3OC)=NN22)=CC2=O)CC1)=O)c1)c1Cl

InChI

InChI=1S/C25H25ClN6O3S/c1-16-3-6-18(13-21(16)26)27-24(34)31-11-9-30(10-12-31)15-19-14-22(33)32-25(28-19)36-23(29-32)17-4-7-20(35-2)8-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,34)

InChI Key

AWKHWLURSZQSFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.49

Polar Surface Area

74.824

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G768-1616 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 G768-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-1616?
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What is the minimum amount of G768-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-1616
  • 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 G768-1616 available by request