G072-1948 Screening compound: N-{5-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

G072-1948 Screening compound: N-{5-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide
G072-1948 Screening compound: N-{5-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1948
N-{5-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

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

G072-1948

Molecular Formula

C14H16N6O2S3 (C14 H16 N6 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc1nnc(SCC(N=C2SC(CC)=NN22)=CC2=O)s1)=O

InChI

InChI=1S/C14H16N6O2S3/c1-3-5-9(21)16-12-17-18-14(25-12)23-7-8-6-11(22)20-13(15-8)24-10(4-2)19-20/h6H,3-5,7H2,1-2H3,(H,16,17,21)

InChI Key

PSIMZQBXZXPRQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.29

Polar Surface Area

84.230

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G072-1948 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 G072-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1948?
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What is the minimum amount of G072-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1948
  • 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 G072-1948 available by request