G072-2198 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

G072-2198 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide
G072-2198 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2198
N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

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

G072-2198

Molecular Formula

C13H13N5O2S3 (C13 H13 N5 O2 S3)

Compound Name

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

IUPAC name

N-{5-[({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}propanamide

SMILES

CCC(Nc1nnc(SCC(N=C2SC=C(C)N22)=CC2=O)s1)=O

InChI

InChI=1S/C13H13N5O2S3/c1-3-9(19)15-11-16-17-13(23-11)22-6-8-4-10(20)18-7(2)5-21-12(18)14-8/h4-5H,3,6H2,1-2H3,(H,15,16,19)

InChI Key

QPDTYHSWJAYSQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

2.018

Water Solubility, LogSw

-2.53

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G072-2198 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 G072-2198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2198?
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What is the minimum amount of G072-2198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2198
  • 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 G072-2198 available by request