C146-0684 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C146-0684 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C146-0684 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-0684
4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

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

C146-0684

Molecular Formula

C18H12N4O4S2 (C18 H12 N4 O4 S2)

Compound Name

4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CSC(N1C(/C2=C/c(cc3)ccc3OC(c3ccco3)=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C18H12N4O4S2/c1-27-18-21-28-17-20-15(23)12(14(19)22(17)18)9-10-4-6-11(7-5-10)26-16(24)13-3-2-8-25-13/h2-9,19H,1H3

InChI Key

RHGSJPOVGDUOHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.73

Polar Surface Area

81.424

Acid Dissociation Constant (pKa)

38.14

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C146-0684 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C146-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0684?
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What is the minimum amount of C146-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0684
  • 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 C146-0684 available by request