G768-0742 Screening compound: 7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0742 Screening compound: 7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0742 Screening compound: 7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0742
7-({4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl}methyl)-2-(2-methoxyphenyl)-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

G768-0742

Molecular Formula

C25H24FN5O4S (C25 H24 FN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(SC1=NC(CN(CC2)CCN2C(COc(cccc2)c2F)=O)=C2)=NN1C2=O

InChI

InChI=1S/C25H24FN5O4S/c1-34-20-8-4-2-6-18(20)24-28-31-22(32)14-17(27-25(31)36-24)15-29-10-12-30(13-11-29)23(33)16-35-21-9-5-3-7-19(21)26/h2-9,14H,10-13,15-16H2,1H3

InChI Key

WRIQDDFIRDOBJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.913

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.74

Polar Surface Area

73.148

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G768-0742 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 G768-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0742?
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What is the minimum amount of G768-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0742
  • 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 G768-0742 available by request