G357-0822 Screening compound: [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-phenylpropanamido)benzoate

G357-0822 Screening compound: [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-phenylpropanamido)benzoate
G357-0822 Screening compound: [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-phenylpropanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-0822
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-phenylpropanamido)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

G357-0822

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

[2-(2-methylpropyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl 4-(3-phenylpropanamido)benzoate

SMILES

CC(C)CC(SC1=NC(COC(c(cc2)ccc2NC(CCc2ccccc2)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C26H26N4O4S/c1-17(2)14-23-29-30-24(32)15-21(28-26(30)35-23)16-34-25(33)19-9-11-20(12-10-19)27-22(31)13-8-18-6-4-3-5-7-18/h3-7,9-12,15,17H,8,13-14,16H2,1-2H3,(H,27,31)

InChI Key

YFPYPWCAYFWUHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.65

Polar Surface Area

82.181

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G357-0822 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G357-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-0822?
Check Price and Availability of G357-0822, 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 G357-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-0822
  • 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 G357-0822 available by request