G768-0482 Screening compound: 2-(4-chlorophenyl)-7-({4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0482 Screening compound: 2-(4-chlorophenyl)-7-({4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0482 Screening compound: 2-(4-chlorophenyl)-7-({4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0482
2-(4-chlorophenyl)-7-({4-[(2E)-3-phenylprop-2-enoyl]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

G768-0482

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-7-({4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}methyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C(/C=C/c1ccccc1)N1CCN(CC(N=C2SC(c(cc3)ccc3Cl)=NN22)=CC2=O)CC1

InChI

InChI=1S/C25H22ClN5O2S/c26-20-9-7-19(8-10-20)24-28-31-23(33)16-21(27-25(31)34-24)17-29-12-14-30(15-13-29)22(32)11-6-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2

InChI Key

JZLLULHXQUWDTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-4.26

Polar Surface Area

57.932

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G768-0482 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G768-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0482?
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What is the minimum amount of G768-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0482
  • 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 G768-0482 available by request