G357-4177 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate

G357-4177 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate
G357-4177 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-4177
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate

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

G357-4177

Molecular Formula

C24H21FN4O5S (C24 H21 FN4 O5 S)

Compound Name

[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate

IUPAC name

[2-(2-ethoxyethyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl 2-(2-fluorobenzamido)benzoate

SMILES

CCOCCC(SC1=NC(COC(c(cccc2)c2NC(c(cccc2)c2F)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C24H21FN4O5S/c1-2-33-12-11-20-28-29-21(30)13-15(26-24(29)35-20)14-34-23(32)17-8-4-6-10-19(17)27-22(31)16-7-3-5-9-18(16)25/h3-10,13H,2,11-12,14H2,1H3,(H,27,31)

InChI Key

AUCBSGZMGWLHKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

2.635

Water Solubility, LogSw

-3.81

Polar Surface Area

89.674

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G357-4177 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G357-4177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-4177?
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What is the minimum amount of G357-4177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-4177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-4177
  • 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 G357-4177 available by request