G768-0252 Screening compound: 2-(4-methylphenyl)-7-{[4-(2-phenoxybutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0252 Screening compound: 2-(4-methylphenyl)-7-{[4-(2-phenoxybutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0252 Screening compound: 2-(4-methylphenyl)-7-{[4-(2-phenoxybutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0252
2-(4-methylphenyl)-7-{[4-(2-phenoxybutanoyl)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

G768-0252

Molecular Formula

C27H29N5O3S (C27 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N1CCN(CC(N=C2SC(c3ccc(C)cc3)=NN22)=CC2=O)CC1)=O)Oc1ccccc1

InChI

InChI=1S/C27H29N5O3S/c1-3-23(35-22-7-5-4-6-8-22)26(34)31-15-13-30(14-16-31)18-21-17-24(33)32-27(28-21)36-25(29-32)20-11-9-19(2)10-12-20/h4-12,17,23H,3,13-16,18H2,1-2H3/t23-/m0/s1

InChI Key

RJZFJYYZVXKXOK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27156531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-3.89

Polar Surface Area

65.132

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G768-0252 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G768-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0252?
Check Price and Availability of G768-0252, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G768-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0252
  • 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 G768-0252 available by request