C354-1482 Screening compound: 2-bromo-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl methanesulfonate

C354-1482 Screening compound: 2-bromo-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl methanesulfonate
C354-1482 Screening compound: 2-bromo-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-1482
2-bromo-4-{[(6Z)-5-imino-3-[(2-methylpropyl)sulfanyl]-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 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

C354-1482

Molecular Formula

C18H19BrN4O5S3 (C18 H19 BrN4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CSC(N1C(/C2=C/c(cc3OC)cc(Br)c3OS(C)(=O)=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C18H19BrN4O5S3/c1-9(2)8-29-18-22-30-17-21-16(24)11(15(20)23(17)18)5-10-6-12(19)14(13(7-10)27-3)28-31(4,25)26/h5-7,9,20H,8H2,1-4H3

InChI Key

RFKSWEIXAAOSKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.62

Polar Surface Area

96.420

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C354-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-1482
  • 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 C354-1482 available by request