C355-1121 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

C355-1121 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
C355-1121 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1121
4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

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

C355-1121

Molecular Formula

C22H20N4O6S3 (C22 H20 N4 O6 S3)

Compound Name

4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

IUPAC name

4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

SMILES

CC(C)S(C(N1C(/C2=C/c(cc3)ccc3OS(c3ccc(C)cc3)(=O)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C22H20N4O6S3/c1-13(2)34(28,29)22-25-33-21-24-20(27)18(19(23)26(21)22)12-15-6-8-16(9-7-15)32-35(30,31)17-10-4-14(3)5-11-17/h4-13,23H,1-3H3

InChI Key

SSXCJZUOPRPROY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

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

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.51

Polar Surface Area

116.804

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C355-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1121?
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What is the minimum amount of C355-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1121
  • 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 C355-1121 available by request