C355-0451 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0451 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0451 Screening compound: (6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0451
(6Z)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-methanesulfonyl-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

C355-0451

Molecular Formula

C23H20N4O8S2 (C23 H20 N4 O8 S2)

Compound Name

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

IUPAC name

(6Z)-6-({4-[(2H-13-benzodioxol-5-yl)methoxy]-35-dimethoxyphenyl}methylidene)-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

COc1cc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)cc(OC)c1OCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H20N4O8S2/c1-31-17-8-13(6-14-20(24)27-22(25-21(14)28)36-26-23(27)37(3,29)30)9-18(32-2)19(17)33-10-12-4-5-15-16(7-12)35-11-34-15/h4-9,24H,10-11H2,1-3H3

InChI Key

XRDDMTPOELFAOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.57

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.743

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-2.61

Polar Surface Area

120.797

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C355-0451 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 C355-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0451?
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What is the minimum amount of C355-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0451
  • 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 C355-0451 available by request