G768-3555 Screening compound: 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-3555 Screening compound: 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-3555 Screening compound: 7-({benzyl[(4-ethoxyphenyl)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 G768-3555
7-({benzyl[(4-ethoxyphenyl)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

G768-3555

Molecular Formula

C28H26N4O2S (C28 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CN(Cc2ccccc2)CC(N=C2SC(c3ccccc3)=NN22)=CC2=O)cc1

InChI

InChI=1S/C28H26N4O2S/c1-2-34-25-15-13-22(14-16-25)19-31(18-21-9-5-3-6-10-21)20-24-17-26(33)32-28(29-24)35-27(30-32)23-11-7-4-8-12-23/h3-17H,2,18-20H2,1H3

InChI Key

GXTPHKBBRHRZGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-4.49

Polar Surface Area

48.834

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G768-3555 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G768-3555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-3555?
Check Price and Availability of G768-3555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G768-3555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-3555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-3555
  • 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 G768-3555 available by request