G072-1878 Screening compound: N-{5-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide

G072-1878 Screening compound: N-{5-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide
G072-1878 Screening compound: N-{5-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1878
N-{5-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide

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

G072-1878

Molecular Formula

C17H14N6O3S3 (C17 H14 N6 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(SC1=NC(CSc2nnc(NC(COc3ccccc3)=O)s2)=C2)=NN1C2=O

InChI

InChI=1S/C17H14N6O3S3/c1-10-22-23-14(25)7-11(18-16(23)28-10)9-27-17-21-20-15(29-17)19-13(24)8-26-12-5-3-2-4-6-12/h2-7H,8-9H2,1H3,(H,19,20,24)

InChI Key

CAPOCIILJDWYKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.44

Polar Surface Area

90.727

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G072-1878 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 G072-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1878?
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What is the minimum amount of G072-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1878
  • 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 G072-1878 available by request