C354-0066 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl benzenesulfonate

C354-0066 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl benzenesulfonate
C354-0066 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-0066
4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 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

C354-0066

Molecular Formula

C20H16N4O5S3 (C20 H16 N4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)cc1)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C20H16N4O5S3/c1-28-16-11-12(8-9-15(16)29-32(26,27)13-6-4-3-5-7-13)10-14-17(21)24-19(22-18(14)25)31-23-20(24)30-2/h3-11,21H,1-2H3

InChI Key

YQOGBNBFTBQUOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.06

Polar Surface Area

95.946

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C354-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C354-0066?
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What is the minimum amount of C354-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-0066
  • 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 C354-0066 available by request