G432-0021 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide

G432-0021 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide
G432-0021 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G432-0021
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide

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

G432-0021

Molecular Formula

C13H14N6O2S3 (C13 H14 N6 O2 S3)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-[({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]acetamide

SMILES

CCc1nnc(NC(CSCC(N=C2SC(C)=NN22)=CC2=O)=O)s1

InChI

InChI=1S/C13H14N6O2S3/c1-3-10-16-17-12(24-10)15-9(20)6-22-5-8-4-11(21)19-13(14-8)23-7(2)18-19/h4H,3,5-6H2,1-2H3,(H,15,17,20)

InChI Key

NWWTZJCASWBHLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-2.55

Polar Surface Area

84.633

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G432-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 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
  • Pool

References: we are preparing a list of scientific research reports with G432-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G432-0021?
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What is the minimum amount of G432-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G432-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G432-0021
  • 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 G432-0021 available by request