G768-3454 Screening compound: 7-({[(4-ethoxyphenyl)methyl](propyl)amino}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-3454 Screening compound: 7-({[(4-ethoxyphenyl)methyl](propyl)amino}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-3454 Screening compound: 7-({[(4-ethoxyphenyl)methyl](propyl)amino}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-3454
7-({[(4-ethoxyphenyl)methyl](propyl)amino}methyl)-2-propyl-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

G768-3454

Molecular Formula

C21H28N4O2S (C21 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(SC1=NC(CN(CCC)Cc(cc2)ccc2OCC)=C2)=NN1C2=O

InChI

InChI=1S/C21H28N4O2S/c1-4-7-19-23-25-20(26)13-17(22-21(25)28-19)15-24(12-5-2)14-16-8-10-18(11-9-16)27-6-3/h8-11,13H,4-7,12,14-15H2,1-3H3

InChI Key

JPPBTHCWMSALNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-3.95

Polar Surface Area

49.260

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G768-3454 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G768-3454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-3454?
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What is the minimum amount of G768-3454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-3454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-3454
  • 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 G768-3454 available by request