G768-3323 Screening compound: 7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-3323 Screening compound: 7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-3323 Screening compound: 7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-3323
7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-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

G768-3323

Molecular Formula

C26H21ClN4O2S (C26 H21 ClN4 O2 S)

Compound Name

7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{[(4-chlorophenyl)[(4-methoxyphenyl)methyl]amino]methyl}-2-phenyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

COc1ccc(CN(CC(N=C2SC(c3ccccc3)=NN22)=CC2=O)c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C26H21ClN4O2S/c1-33-23-13-7-18(8-14-23)16-30(22-11-9-20(27)10-12-22)17-21-15-24(32)31-26(28-21)34-25(29-31)19-5-3-2-4-6-19/h2-15H,16-17H2,1H3

InChI Key

CVPRGCDQFKFQEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-6.01

Polar Surface Area

48.558

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G768-3323 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 G768-3323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-3323?
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What is the minimum amount of G768-3323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-3323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-3323
  • 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 G768-3323 available by request