G768-0877 Screening compound: 7-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0877 Screening compound: 7-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0877 Screening compound: 7-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0877
7-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-(3-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

G768-0877

Molecular Formula

C24H22FN5O3S (C24 H22 FN5 O3 S)

Compound Name

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

IUPAC name

7-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

COc1cccc(C(SC2=NC(CN(CC3)CCN3C(c(cccc3)c3F)=O)=C3)=NN2C3=O)c1

InChI

InChI=1S/C24H22FN5O3S/c1-33-18-6-4-5-16(13-18)22-27-30-21(31)14-17(26-24(30)34-22)15-28-9-11-29(12-10-28)23(32)19-7-2-3-8-20(19)25/h2-8,13-14H,9-12,15H2,1H3

InChI Key

PFNTVVBKAFHODM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.96

Polar Surface Area

66.003

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G768-0877 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G768-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0877?
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What is the minimum amount of G768-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0877
  • 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 G768-0877 available by request