C356-0538 Screening compound: (6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0538 Screening compound: (6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0538 Screening compound: (6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0538
(6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

C356-0538

Molecular Formula

C23H22N4O6S2 (C23 H22 N4 O6 S2)

Compound Name

(6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-2-(ethanesulfonyl)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)ccc3OCCOc3cc(OC)ccc3)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C23H22N4O6S2/c1-3-35(29,30)23-26-27-20(24)19(21(28)25-22(27)34-23)13-15-7-9-16(10-8-15)32-11-12-33-18-6-4-5-17(14-18)31-2/h4-10,13-14,24H,3,11-12H2,1-2H3

InChI Key

QJHQLIRXBVEYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.52

Polar Surface Area

105.946

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C356-0538 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 C356-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0538
  • 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 C356-0538 available by request