C679-2596 Screening compound: 7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2596 Screening compound: 7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2596 Screening compound: 7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2596
7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

C679-2596

Molecular Formula

C11H12N6OS4 (C11 H12 N6 OS4)

Compound Name

7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-2-(propan-2-ylsulfanyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(C)SC(SC1=NC(CSc2nnc(N)s2)=C2)=NN1C2=O

InChI

InChI=1S/C11H12N6OS4/c1-5(2)20-11-16-17-7(18)3-6(13-9(17)22-11)4-19-10-15-14-8(12)21-10/h3,5H,4H2,1-2H3,(H2,12,14)

InChI Key

LSIRTUZXMRTRPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-2.36

Polar Surface Area

82.353

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C679-2596 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 C679-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C679-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2596
  • 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 C679-2596 available by request