C355-0080 Screening compound: (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0080 Screening compound: (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0080 Screening compound: (6Z)-6-[(3,4-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 C355-0080
(6Z)-6-[(3,4-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

C355-0080

Molecular Formula

C15H14N4O5S2 (C15 H14 N4 O5 S2)

Compound Name

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

IUPAC name

(6Z)-6-[(34-dimethoxyphenyl)methylidene]-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

COc(ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS1)C1=N1)=N)\C1=O)c1)c1OC

InChI

InChI=1S/C15H14N4O5S2/c1-23-10-5-4-8(7-11(10)24-2)6-9-12(16)19-14(17-13(9)20)25-18-15(19)26(3,21)22/h4-7,16H,1-3H3

InChI Key

JJCRBFIPVDHZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.146

Distribution Coefficient, logD

0.139

Water Solubility, LogSw

-2.32

Polar Surface Area

96.280

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C355-0080 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 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 C355-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0080?
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What is the minimum amount of C355-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0080
  • 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 C355-0080 available by request