C355-0054 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0054 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0054 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0054
(6Z)-5-imino-3-methanesulfonyl-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-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

C355-0054

Molecular Formula

C24H21N5O4S2 (C24 H21 N5 O4 S2)

Compound Name

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

IUPAC name

(6Z)-5-imino-3-methanesulfonyl-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(cccc1)c1OCCn1c(cccc2)c2c(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)c1

InChI

InChI=1S/C24H21N5O4S2/c1-15-7-3-6-10-20(15)33-12-11-28-14-16(17-8-4-5-9-19(17)28)13-18-21(25)29-23(26-22(18)30)34-27-24(29)35(2,31)32/h3-10,13-14,25H,11-12H2,1-2H3

InChI Key

HXVDJWFARDGNPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-3.03

Polar Surface Area

90.234

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C355-0054 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 C355-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0054?
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What is the minimum amount of C355-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0054
  • 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 C355-0054 available by request