C356-0523 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

C356-0523 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate
C356-0523 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0523
4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

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

C356-0523

Molecular Formula

C20H16N4O6S3 (C20 H16 N4 O6 S3)

Compound Name

4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

IUPAC name

4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)ccc3OS(c3ccccc3)(=O)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C20H16N4O6S3/c1-2-32(26,27)20-23-24-17(21)16(18(25)22-19(24)31-20)12-13-8-10-14(11-9-13)30-33(28,29)15-6-4-3-5-7-15/h3-12,21H,2H2,1H3

InChI Key

QBZQCXGJNIPMOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.57

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.70

Polar Surface Area

119.600

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C356-0523 in Drug Discovery

Included in Screening Libraries

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 C356-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0523?
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What is the minimum amount of C356-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0523
  • 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 C356-0523 available by request