C355-0798 Screening compound: 2-chloro-4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

C355-0798 Screening compound: 2-chloro-4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate
C355-0798 Screening compound: 2-chloro-4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0798
2-chloro-4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C355-0798

Molecular Formula

C20H15ClN4O6S3 (C20 H15 ClN4 O6 S3)

Compound Name

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

IUPAC name

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

SMILES

CCS(C(N1C(/C2=C/c(cc3)cc(Cl)c3OS(c3ccccc3)(=O)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C20H15ClN4O6S3/c1-2-33(27,28)20-24-32-19-23-18(26)14(17(22)25(19)20)10-12-8-9-16(15(21)11-12)31-34(29,30)13-6-4-3-5-7-13/h3-11,22H,2H2,1H3

InChI Key

DOEMAUKOBXRGOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.01

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

2.417

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-3.46

Polar Surface Area

116.155

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C355-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0798?
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What is the minimum amount of C355-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0798
  • 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 C355-0798 available by request