C354-0245 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

C354-0245 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate
C354-0245 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-0245
2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

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

C354-0245

Molecular Formula

C16H16N4O5S3 (C16 H16 N4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H16N4O5S3/c1-4-24-12-8-9(5-6-11(12)25-28(3,22)23)7-10-13(17)20-15(18-14(10)21)27-19-16(20)26-2/h5-8,17H,4H2,1-3H3

InChI Key

QKFWJTNPQYCMCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

1.269

Distribution Coefficient, logD

1.257

Water Solubility, LogSw

-2.46

Polar Surface Area

95.914

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C354-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C354-0245?
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What is the minimum amount of C354-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-0245
  • 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 C354-0245 available by request