C277-4058 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C277-4058 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C277-4058 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-4058
(6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-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

C277-4058

Molecular Formula

C24H24N4O4S2 (C24 H24 N4 O4 S2)

Compound Name

(6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[2-(34-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(cc1)c(C)cc1OCCOc(ccc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)c1)c1OC

InChI

InChI=1S/C24H24N4O4S2/c1-14-5-7-17(11-15(14)2)31-9-10-32-19-8-6-16(13-20(19)30-3)12-18-21(25)28-23(26-22(18)29)34-27-24(28)33-4/h5-8,11-13,25H,9-10H2,1-4H3

InChI Key

CJQYHTQBSFSGBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.34

Polar Surface Area

74.749

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C277-4058 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C277-4058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-4058?
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What is the minimum amount of C277-4058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-4058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-4058
  • 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 C277-4058 available by request