G768-0508 Screening compound: 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0508 Screening compound: 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0508 Screening compound: 7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0508
7-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-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

G768-0508

Molecular Formula

C23H19BrFN5O2S (C23 H19 BrFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Br)N1CCN(CC(N=C2SC(c(cccc3)c3F)=NN22)=CC2=O)CC1

InChI

InChI=1S/C23H19BrFN5O2S/c24-18-7-3-1-5-16(18)22(32)29-11-9-28(10-12-29)14-15-13-20(31)30-23(26-15)33-21(27-30)17-6-2-4-8-19(17)25/h1-8,13H,9-12,14H2

InChI Key

USVNKFANWHBNQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.31

Polar Surface Area

58.459

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G768-0508 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G768-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0508?
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What is the minimum amount of G768-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0508
  • 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 G768-0508 available by request