C355-0830 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0830 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0830 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0830
(6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C355-0830

Molecular Formula

C22H18N4O6S2 (C22 H18 N4 O6 S2)

Compound Name

(6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[(2H-13-benzodioxol-5-yl)methoxy]phenyl}methylidene)-3-(ethanesulfonyl)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCS(C(N1C(/C2=C/c(cc3)ccc3OCc(cc3)cc4c3OCO4)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C22H18N4O6S2/c1-2-34(28,29)22-25-33-21-24-20(27)16(19(23)26(21)22)9-13-3-6-15(7-4-13)30-11-14-5-8-17-18(10-14)32-12-31-17/h3-10,23H,2,11-12H2,1H3

InChI Key

GABCZZFUYLCOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.03

Polar Surface Area

104.650

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C355-0830 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C355-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0830?
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What is the minimum amount of C355-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0830
  • 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 C355-0830 available by request