C277-5692 Screening compound: (6Z)-6-({3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C277-5692 Screening compound: (6Z)-6-({3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C277-5692 Screening compound: (6Z)-6-({3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-5692
(6Z)-6-({3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-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

C277-5692

Molecular Formula

C25H26N4O5S2 (C25 H26 N4 O5 S2)

Compound Name

(6Z)-6-({3,5-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({35-dimethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-(ethylsulfanyl)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3OC)cc(OC)c3OCCOc3c(C)cccc3)=N)=NSC1=NC2=O

InChI

InChI=1S/C25H26N4O5S2/c1-5-35-25-28-36-24-27-23(30)17(22(26)29(24)25)12-16-13-19(31-3)21(20(14-16)32-4)34-11-10-33-18-9-7-6-8-15(18)2/h6-9,12-14,26H,5,10-11H2,1-4H3

InChI Key

CQCYXPKGLYHFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.30

Polar Surface Area

82.552

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C277-5692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-5692?
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What is the minimum amount of C277-5692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-5692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-5692
  • 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 C277-5692 available by request