G768-0250 Screening compound: 2-(4-methylphenyl)-7-[(4-{2-[(4-methylphenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0250 Screening compound: 2-(4-methylphenyl)-7-[(4-{2-[(4-methylphenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0250 Screening compound: 2-(4-methylphenyl)-7-[(4-{2-[(4-methylphenyl)sulfanyl]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 G768-0250
2-(4-methylphenyl)-7-[(4-{2-[(4-methylphenyl)sulfanyl]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

G768-0250

Molecular Formula

C26H27N5O2S2 (C26 H27 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(SC1=NC(CN(CC2)CCN2C(CSc2ccc(C)cc2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C26H27N5O2S2/c1-18-3-7-20(8-4-18)25-28-31-23(32)15-21(27-26(31)35-25)16-29-11-13-30(14-12-29)24(33)17-34-22-9-5-19(2)6-10-22/h3-10,15H,11-14,16-17H2,1-2H3

InChI Key

SWXWQCIERRBOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-3.89

Polar Surface Area

57.932

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G768-0250 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G768-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0250?
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What is the minimum amount of G768-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0250
  • 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 G768-0250 available by request