C354-1480 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

C354-1480 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate
C354-1480 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-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 C354-1480
2-ethoxy-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-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

C354-1480

Molecular Formula

C19H22N4O5S3 (C19 H22 N4 O5 S3)

Compound Name

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

SMILES

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

InChI

InChI=1S/C19H22N4O5S3/c1-5-27-15-9-12(6-7-14(15)28-31(4,25)26)8-13-16(20)23-18(21-17(13)24)30-22-19(23)29-10-11(2)3/h6-9,11,20H,5,10H2,1-4H3

InChI Key

FEFWHZNIABFBLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.08

Polar Surface Area

95.914

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with C354-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C354-1480?
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What is the minimum amount of C354-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-1480
  • 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 C354-1480 available by request