C146-0968 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-0968 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-0968 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}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 C146-0968
(6Z)-6-({3-chloro-4-[2-(2-methoxy-4-methylphenoxy)ethoxy]phenyl}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

C146-0968

Molecular Formula

C23H21ClN4O4S2 (C23 H21 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(OC)c1OCCOc(ccc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)c1)c1Cl

InChI

InChI=1S/C23H21ClN4O4S2/c1-13-4-6-18(19(10-13)30-2)32-9-8-31-17-7-5-14(12-16(17)24)11-15-20(25)28-22(26-21(15)29)34-27-23(28)33-3/h4-7,10-12,25H,8-9H2,1-3H3

InChI Key

UAUPBVNAHLHCOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.03

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

4.079

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.58

Polar Surface Area

74.835

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C146-0968 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 C146-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0968?
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What is the minimum amount of C146-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0968
  • 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 C146-0968 available by request