C356-0527 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl benzenesulfonate

C356-0527 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl benzenesulfonate
C356-0527 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0527
4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl 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

C356-0527

Molecular Formula

C22H20N4O7S3 (C22 H20 N4 O7 S3)

Compound Name

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

IUPAC name

4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl benzenesulfonate

SMILES

CCOc(cc(/C=C(\C(N(C(S1)=N2)N=C1S(CC)(=O)=O)=N)/C2=O)cc1)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H20N4O7S3/c1-3-32-18-13-14(10-11-17(18)33-36(30,31)15-8-6-5-7-9-15)12-16-19(23)26-21(24-20(16)27)34-22(25-26)35(28,29)4-2/h5-13,23H,3-4H2,1-2H3

InChI Key

FBTHYZYQTWEOCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.62

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.82

Polar Surface Area

126.897

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C356-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0527?
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What is the minimum amount of C356-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0527
  • 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 C356-0527 available by request