G768-1276 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide

G768-1276 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide
G768-1276 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-1276
4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide

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

G768-1276

Molecular Formula

C23H20ClFN6O2S (C23 H20 ClFN6 O2 S)

Compound Name

4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide

IUPAC name

4-{[2-(3-chlorophenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide

SMILES

O=C(Nc(cc1)ccc1F)N1CCN(CC(N=C2SC(c3cccc(Cl)c3)=NN22)=CC2=O)CC1

InChI

InChI=1S/C23H20ClFN6O2S/c24-16-3-1-2-15(12-16)21-28-31-20(32)13-19(27-23(31)34-21)14-29-8-10-30(11-9-29)22(33)26-18-6-4-17(25)5-7-18/h1-7,12-13H,8-11,14H2,(H,26,33)

InChI Key

BMCSAYLHQQVWPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27156974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.79

Polar Surface Area

67.280

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G768-1276 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G768-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-1276?
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What is the minimum amount of G768-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-1276
  • 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 G768-1276 available by request